(3S,3aR,6R,6aS)-6-tert-butyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3,6-diol;[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] benzoate;1-tert-butylcyclopentan-1-ol;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;N-tert-butylpyridin-2-amine;1-tert-butyl-4-pyridin-4-ylpiperazine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;tert-butyl(trimethyl)silane;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanamide;2,2-dimethylpropanoic acid;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;3,3-dimethyl-1-quinolin-7-ylbutan-2-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methoxy-2,3,3-trimethylbutane;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;methyl 2,2,3,3-tetramethylbutanoate;2,2,3,3-tetramethylbutane;1,1,1-trideuterio-2,3,3-trimethylbutan-2-ol;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol;2,3,3-trimethylbut-1-ene

C330H568N28O39Si — CID 159744502

IUPAC(3S,3aR,6R,6aS)-6-tert-butyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3,6-diol;[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] benzoate;1-tert-butylcyclopentan-1-ol;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;N-tert-butylpyridin-2-amine;1-tert-butyl-4-pyridin-4-ylpiperazine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;tert-butyl(trimethyl)silane;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanamide;2,2-dimethylpropanoic acid;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;3,3-dimethyl-1-quinolin-7-ylbutan-2-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methoxy-2,3,3-trimethylbutane;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;methyl 2,2,3,3-tetramethylbutanoate;2,2,3,3-tetramethylbutane;1,1,1-trideuterio-2,3,3-trimethylbutan-2-ol;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol;2,3,3-trimethylbut-1-ene
SMILESC=C(C)C(C)(C)C.CC(C)(C)C(=O)CC1CC1.CC(C)(C)C(=O)Cc1ccc2[nH]ncc2c1.CC(C)(C)C(=O)Cc1ccc2c(c1)CN=C2.CC(C)(C)C(=O)Cc1ccc2cccnc2c1.CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)C(=O)O.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)O.CC(C)(C)C(N)=O.CC(C)(C)C1(O)CCCC1.CC(C)(C)C1(O)CCOCC1.CC(C)(C)C1(O)COC1.CC(C)(C)CCOc1ccc2cccnc2c1.CC(C)(C)CCOc1ccc2ncccc2c1.CC(C)(C)CN1CCCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)N1CCN(c2ccncc2)CC1.CC(C)(C)N1CCn2ncnc2C1.CC(C)(C)Nc1ccccn1.CC(C)(C)O.CC(C)(C)OCc1ccccn1.CC(C)(C)[C@@]1(O)CO[C@@H]2[C@@H](O)CO[C@@H]21.CC(C)(C)[C@@]1(O)CO[C@@H]2[C@@H](OC(=O)c3ccccc3)CO[C@@H]21.CC(C)(C)[Si](C)(C)C.CC(C)(C)c1ccc2c(c1)CNCC2.CC(C)C(C)(C)C.CCOC(=O)C(C)(C)C.COC(=O)C(C)(C)C(C)(C)C.COC(C)(C)C(C)(C)C.COc1cc2ncnc(CC(=O)C(C)(C)C)c2cc1OC.Cc1nc2n(n1)CCN(C(C)(C)C)C2.[2H]C([2H])([2H])C(C)(O)C(C)(C)C
InChIInChI=1S/C17H22O5.C16H20N2O3.2C15H19NO.C15H17NO.C14H17NO.C13H21N3.C13H16N2O.C13H19N.C10H18N4.C10H15NO.C10H18O4.C9H16N4.C9H14N2.C9H17NO2.C9H19NO.C9H17NO.C9H19N.2C9H18O2.C9H16O.C9H18O.C8H18O.C8H18.2C7H14O2.2C7H16O.C7H18Si.C7H16.C7H14.C5H11NO.C5H10O2.C4H10O/c1-16(2,3)17(19)10-21-13-12(9-20-14(13)17)22-15(18)11-7-5-4-6-8-11;1-16(2,3)15(19)8-12-10-6-13(20-4)14(21-5)7-11(10)17-9-18-12;1-15(2,3)8-10-17-13-6-7-14-12(11-13)5-4-9-16-14;1-15(2,3)8-10-17-13-7-6-12-5-4-9-16-14(12)11-13;1-15(2,3)14(17)10-11-6-7-12-5-4-8-16-13(12)9-11;1-14(2,3)13(16)7-10-4-5-11-8-15-9-12(11)6-10;1-13(2,3)16-10-8-15(9-11-16)12-4-6-14-7-5-12;1-13(2,3)12(16)7-9-4-5-11-10(6-9)8-14-15-11;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-8-11-9-7-13(10(2,3)4)5-6-14(9)12-8;1-10(2,3)12-8-9-6-4-5-7-11-9;1-9(2,3)10(12)5-14-7-6(11)4-13-8(7)10;1-9(2,3)12-4-5-13-8(6-12)10-7-11-13;1-9(2,3)11-8-6-4-5-7-10-8;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8-10-4-6-11-7-5-10;1-9(2,3)8(11)10-6-4-5-7-10;1-9(2,3)8-10-6-4-5-7-10;1-8(2,3)9(10)4-6-11-7-5-9;1-8(2,3)9(4,5)7(10)11-6;1-9(2,3)8(10)6-7-4-5-7;1-8(2,3)9(10)6-4-5-7-9;1-7(2,3)8(4,5)9-6;1-7(2,3)8(4,5)6;1-6(2,3)7(8)4-9-5-7;1-5-9-6(8)7(2,3)4;2*1-6(2,3)7(4,5)8;1-7(2,3)8(4,5)6;2*1-6(2)7(3,4)5;2*1-5(2,3)4(6)7;1-4(2,3)5/h4-8,12-14,19H,9-10H2,1-3H3;6-7,9H,8H2,1-5H3;2*4-7,9,11H,8,10H2,1-3H3;4-9H,10H2,1-3H3;4-6,8H,7,9H2,1-3H3;4-7H,8-11H2,1-3H3;4-6,8H,7H2,1-3H3,(H,14,15);4-5,8,14H,6-7,9H2,1-3H3;5-7H2,1-4H3;4-7H,8H2,1-3H3;6-8,11-12H,4-5H2,1-3H3;7H,4-6H2,1-3H3;4-7H,1-3H3,(H,10,11);4-7H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3;4-8H2,1-3H3;10H,4-7H2,1-3H3;1-6H3;7H,4-6H2,1-3H3;10H,4-7H2,1-3H3;1-6H3;1-6H3;8H,4-5H2,1-3H3;5H2,1-4H3;2*8H,1-5H3;1-6H3;6H,1-5H3;1H2,2-5H3;1-3H3,(H2,6,7);1-3H3,(H,6,7);5H,1-3H3/t12-,13+,14-,17+;;;;;;;;;;;6-,7+,8-,10+;;;;;;;;;;;;;;;;;;;;;;/m0..........0....................../s1/i;;;;;;;;;;;;;;;;;;;;;;;;;;4D3;;;;;;;
InChIKeyNCWISZLGAQWDLS-CCOLOVSDSA-N
MW5583.44 g/mol
LogP69.87
Rot. Bonds30

About (3S,3aR,6R,6aS)-6-tert-butyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3,6-diol;[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] benzoate;1-tert-butylcyclopentan-1-ol;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;N-tert-butylpyridin-2-amine;1-tert-butyl-4-pyridin-4-ylpiperazine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;tert-butyl(trimethyl)silane;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanamide;2,2-dimethylpropanoic acid;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;3,3-dimethyl-1-quinolin-7-ylbutan-2-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methoxy-2,3,3-trimethylbutane;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;methyl 2,2,3,3-tetramethylbutanoate;2,2,3,3-tetramethylbutane;1,1,1-trideuterio-2,3,3-trimethylbutan-2-ol;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol;2,3,3-trimethylbut-1-ene

(3S,3aR,6R,6aS)-6-tert-butyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3,6-diol;[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] benzoate;1-tert-butylcyclopentan-1-ol;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;N-tert-butylpyridin-2-amine;1-tert-butyl-4-pyridin-4-ylpiperazine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;tert-butyl(trimethyl)silane;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanamide;2,2-dimethylpropanoic acid;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;3,3-dimethyl-1-quinolin-7-ylbutan-2-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methoxy-2,3,3-trimethylbutane;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;methyl 2,2,3,3-tetramethylbutanoate;2,2,3,3-tetramethylbutane;1,1,1-trideuterio-2,3,3-trimethylbutan-2-ol;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol;2,3,3-trimethylbut-1-ene (PubChem CID 159744502) has the molecular formula C330H568N28O39Si and a molecular weight of 5583.44 g/mol. Its IUPAC name is (3S,3aR,6R,6aS)-6-tert-butyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3,6-diol;[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] benzoate;1-tert-butylcyclopentan-1-ol;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;N-tert-butylpyridin-2-amine;1-tert-butyl-4-pyridin-4-ylpiperazine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;tert-butyl(trimethyl)silane;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanamide;2,2-dimethylpropanoic acid;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;3,3-dimethyl-1-quinolin-7-ylbutan-2-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methoxy-2,3,3-trimethylbutane;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;methyl 2,2,3,3-tetramethylbutanoate;2,2,3,3-tetramethylbutane;1,1,1-trideuterio-2,3,3-trimethylbutan-2-ol;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol;2,3,3-trimethylbut-1-ene.

Molecular Properties

Compound Name(3S,3aR,6R,6aS)-6-tert-butyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3,6-diol;[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] benzoate;1-tert-butylcyclopentan-1-ol;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;N-tert-butylpyridin-2-amine;1-tert-butyl-4-pyridin-4-ylpiperazine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;tert-butyl(trimethyl)silane;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanamide;2,2-dimethylpropanoic acid;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;3,3-dimethyl-1-quinolin-7-ylbutan-2-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methoxy-2,3,3-trimethylbutane;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;methyl 2,2,3,3-tetramethylbutanoate;2,2,3,3-tetramethylbutane;1,1,1-trideuterio-2,3,3-trimethylbutan-2-ol;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol;2,3,3-trimethylbut-1-ene
PubChem CID159744502
Molecular FormulaC330H568N28O39Si
Molecular Weight5583.44 g/mol
Exact Mass5579.33
IUPAC Name(3S,3aR,6R,6aS)-6-tert-butyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3,6-diol;[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] benzoate;1-tert-butylcyclopentan-1-ol;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;N-tert-butylpyridin-2-amine;1-tert-butyl-4-pyridin-4-ylpiperazine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;tert-butyl(trimethyl)silane;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanamide;2,2-dimethylpropanoic acid;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;3,3-dimethyl-1-quinolin-7-ylbutan-2-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methoxy-2,3,3-trimethylbutane;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;methyl 2,2,3,3-tetramethylbutanoate;2,2,3,3-tetramethylbutane;1,1,1-trideuterio-2,3,3-trimethylbutan-2-ol;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol;2,3,3-trimethylbut-1-ene
SMILESC=C(C)C(C)(C)C.CC(C)(C)C(=O)CC1CC1.CC(C)(C)C(=O)Cc1ccc2[nH]ncc2c1.CC(C)(C)C(=O)Cc1ccc2c(c1)CN=C2.CC(C)(C)C(=O)Cc1ccc2cccnc2c1.CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)C(=O)O.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)O.CC(C)(C)C(N)=O.CC(C)(C)C1(O)CCCC1.CC(C)(C)C1(O)CCOCC1.CC(C)(C)C1(O)COC1.CC(C)(C)CCOc1ccc2cccnc2c1.CC(C)(C)CCOc1ccc2ncccc2c1.CC(C)(C)CN1CCCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)N1CCN(c2ccncc2)CC1.CC(C)(C)N1CCn2ncnc2C1.CC(C)(C)Nc1ccccn1.CC(C)(C)O.CC(C)(C)OCc1ccccn1.CC(C)(C)[C@@]1(O)CO[C@@H]2[C@@H](O)CO[C@@H]21.CC(C)(C)[C@@]1(O)CO[C@@H]2[C@@H](OC(=O)c3ccccc3)CO[C@@H]21.CC(C)(C)[Si](C)(C)C.CC(C)(C)c1ccc2c(c1)CNCC2.CC(C)C(C)(C)C.CCOC(=O)C(C)(C)C.COC(=O)C(C)(C)C(C)(C)C.COC(C)(C)C(C)(C)C.COc1cc2ncnc(CC(=O)C(C)(C)C)c2cc1OC.Cc1nc2n(n1)CCN(C(C)(C)C)C2.[2H]C([2H])([2H])C(C)(O)C(C)(C)C
InChIInChI=1S/C17H22O5.C16H20N2O3.2C15H19NO.C15H17NO.C14H17NO.C13H21N3.C13H16N2O.C13H19N.C10H18N4.C10H15NO.C10H18O4.C9H16N4.C9H14N2.C9H17NO2.C9H19NO.C9H17NO.C9H19N.2C9H18O2.C9H16O.C9H18O.C8H18O.C8H18.2C7H14O2.2C7H16O.C7H18Si.C7H16.C7H14.C5H11NO.C5H10O2.C4H10O/c1-16(2,3)17(19)10-21-13-12(9-20-14(13)17)22-15(18)11-7-5-4-6-8-11;1-16(2,3)15(19)8-12-10-6-13(20-4)14(21-5)7-11(10)17-9-18-12;1-15(2,3)8-10-17-13-6-7-14-12(11-13)5-4-9-16-14;1-15(2,3)8-10-17-13-7-6-12-5-4-9-16-14(12)11-13;1-15(2,3)14(17)10-11-6-7-12-5-4-8-16-13(12)9-11;1-14(2,3)13(16)7-10-4-5-11-8-15-9-12(11)6-10;1-13(2,3)16-10-8-15(9-11-16)12-4-6-14-7-5-12;1-13(2,3)12(16)7-9-4-5-11-10(6-9)8-14-15-11;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-8-11-9-7-13(10(2,3)4)5-6-14(9)12-8;1-10(2,3)12-8-9-6-4-5-7-11-9;1-9(2,3)10(12)5-14-7-6(11)4-13-8(7)10;1-9(2,3)12-4-5-13-8(6-12)10-7-11-13;1-9(2,3)11-8-6-4-5-7-10-8;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8-10-4-6-11-7-5-10;1-9(2,3)8(11)10-6-4-5-7-10;1-9(2,3)8-10-6-4-5-7-10;1-8(2,3)9(10)4-6-11-7-5-9;1-8(2,3)9(4,5)7(10)11-6;1-9(2,3)8(10)6-7-4-5-7;1-8(2,3)9(10)6-4-5-7-9;1-7(2,3)8(4,5)9-6;1-7(2,3)8(4,5)6;1-6(2,3)7(8)4-9-5-7;1-5-9-6(8)7(2,3)4;2*1-6(2,3)7(4,5)8;1-7(2,3)8(4,5)6;2*1-6(2)7(3,4)5;2*1-5(2,3)4(6)7;1-4(2,3)5/h4-8,12-14,19H,9-10H2,1-3H3;6-7,9H,8H2,1-5H3;2*4-7,9,11H,8,10H2,1-3H3;4-9H,10H2,1-3H3;4-6,8H,7,9H2,1-3H3;4-7H,8-11H2,1-3H3;4-6,8H,7H2,1-3H3,(H,14,15);4-5,8,14H,6-7,9H2,1-3H3;5-7H2,1-4H3;4-7H,8H2,1-3H3;6-8,11-12H,4-5H2,1-3H3;7H,4-6H2,1-3H3;4-7H,1-3H3,(H,10,11);4-7H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3;4-8H2,1-3H3;10H,4-7H2,1-3H3;1-6H3;7H,4-6H2,1-3H3;10H,4-7H2,1-3H3;1-6H3;1-6H3;8H,4-5H2,1-3H3;5H2,1-4H3;2*8H,1-5H3;1-6H3;6H,1-5H3;1H2,2-5H3;1-3H3,(H2,6,7);1-3H3,(H,6,7);5H,1-3H3/t12-,13+,14-,17+;;;;;;;;;;;6-,7+,8-,10+;;;;;;;;;;;;;;;;;;;;;;/m0..........0....................../s1/i;;;;;;;;;;;;;;;;;;;;;;;;;;4D3;;;;;;;
InChIKeyNCWISZLGAQWDLS-CCOLOVSDSA-N
XLogP69.87
TPSA845.63 Ų
H-Bond Donors14
H-Bond Acceptors62
Rotatable Bonds30
Heavy Atoms398
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005583.44
LogP ≤ 569.87
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1062

Analyze (3S,3aR,6R,6aS)-6-tert-butyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3,6-diol;[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] benzoate;1-tert-butylcyclopentan-1-ol;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;N-tert-butylpyridin-2-amine;1-tert-butyl-4-pyridin-4-ylpiperazine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;tert-butyl(trimethyl)silane;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanamide;2,2-dimethylpropanoic acid;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;3,3-dimethyl-1-quinolin-7-ylbutan-2-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methoxy-2,3,3-trimethylbutane;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;methyl 2,2,3,3-tetramethylbutanoate;2,2,3,3-tetramethylbutane;1,1,1-trideuterio-2,3,3-trimethylbutan-2-ol;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol;2,3,3-trimethylbut-1-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6R,6aS)-6-tert-butyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3,6-diol;[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] benzoate;1-tert-butylcyclopentan-1-ol;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;N-tert-butylpyridin-2-amine;1-tert-butyl-4-pyridin-4-ylpiperazine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;tert-butyl(trimethyl)silane;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanamide;2,2-dimethylpropanoic acid;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;3,3-dimethyl-1-quinolin-7-ylbutan-2-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methoxy-2,3,3-trimethylbutane;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;methyl 2,2,3,3-tetramethylbutanoate;2,2,3,3-tetramethylbutane;1,1,1-trideuterio-2,3,3-trimethylbutan-2-ol;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol;2,3,3-trimethylbut-1-ene?
The IUPAC name of (3S,3aR,6R,6aS)-6-tert-butyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3,6-diol;[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] benzoate;1-tert-butylcyclopentan-1-ol;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;N-tert-butylpyridin-2-amine;1-tert-butyl-4-pyridin-4-ylpiperazine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;tert-butyl(trimethyl)silane;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanamide;2,2-dimethylpropanoic acid;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;3,3-dimethyl-1-quinolin-7-ylbutan-2-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methoxy-2,3,3-trimethylbutane;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;methyl 2,2,3,3-tetramethylbutanoate;2,2,3,3-tetramethylbutane;1,1,1-trideuterio-2,3,3-trimethylbutan-2-ol;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol;2,3,3-trimethylbut-1-ene (CID 159744502) is (3S,3aR,6R,6aS)-6-tert-butyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3,6-diol;[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] benzoate;1-tert-butylcyclopentan-1-ol;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;N-tert-butylpyridin-2-amine;1-tert-butyl-4-pyridin-4-ylpiperazine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;tert-butyl(trimethyl)silane;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanamide;2,2-dimethylpropanoic acid;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;3,3-dimethyl-1-quinolin-7-ylbutan-2-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methoxy-2,3,3-trimethylbutane;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;methyl 2,2,3,3-tetramethylbutanoate;2,2,3,3-tetramethylbutane;1,1,1-trideuterio-2,3,3-trimethylbutan-2-ol;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol;2,3,3-trimethylbut-1-ene.
What is the SMILES notation for (3S,3aR,6R,6aS)-6-tert-butyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3,6-diol;[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] benzoate;1-tert-butylcyclopentan-1-ol;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;N-tert-butylpyridin-2-amine;1-tert-butyl-4-pyridin-4-ylpiperazine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;tert-butyl(trimethyl)silane;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanamide;2,2-dimethylpropanoic acid;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;3,3-dimethyl-1-quinolin-7-ylbutan-2-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methoxy-2,3,3-trimethylbutane;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;methyl 2,2,3,3-tetramethylbutanoate;2,2,3,3-tetramethylbutane;1,1,1-trideuterio-2,3,3-trimethylbutan-2-ol;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol;2,3,3-trimethylbut-1-ene?
The canonical SMILES for (3S,3aR,6R,6aS)-6-tert-butyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3,6-diol;[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] benzoate;1-tert-butylcyclopentan-1-ol;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;N-tert-butylpyridin-2-amine;1-tert-butyl-4-pyridin-4-ylpiperazine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;tert-butyl(trimethyl)silane;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanamide;2,2-dimethylpropanoic acid;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;3,3-dimethyl-1-quinolin-7-ylbutan-2-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methoxy-2,3,3-trimethylbutane;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;methyl 2,2,3,3-tetramethylbutanoate;2,2,3,3-tetramethylbutane;1,1,1-trideuterio-2,3,3-trimethylbutan-2-ol;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol;2,3,3-trimethylbut-1-ene is C=C(C)C(C)(C)C.CC(C)(C)C(=O)CC1CC1.CC(C)(C)C(=O)Cc1ccc2[nH]ncc2c1.CC(C)(C)C(=O)Cc1ccc2c(c1)CN=C2.CC(C)(C)C(=O)Cc1ccc2cccnc2c1.CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)C(=O)O.CC(C)(C)C(C)(C)C.CC(C)(C)C(C)(C)O.CC(C)(C)C(N)=O.CC(C)(C)C1(O)CCCC1.CC(C)(C)C1(O)CCOCC1.CC(C)(C)C1(O)COC1.CC(C)(C)CCOc1ccc2cccnc2c1.CC(C)(C)CCOc1ccc2ncccc2c1.CC(C)(C)CN1CCCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)N1CCN(c2ccncc2)CC1.CC(C)(C)N1CCn2ncnc2C1.CC(C)(C)Nc1ccccn1.CC(C)(C)O.CC(C)(C)OCc1ccccn1.CC(C)(C)[C@@]1(O)CO[C@@H]2[C@@H](O)CO[C@@H]21.CC(C)(C)[C@@]1(O)CO[C@@H]2[C@@H](OC(=O)c3ccccc3)CO[C@@H]21.CC(C)(C)[Si](C)(C)C.CC(C)(C)c1ccc2c(c1)CNCC2.CC(C)C(C)(C)C.CCOC(=O)C(C)(C)C.COC(=O)C(C)(C)C(C)(C)C.COC(C)(C)C(C)(C)C.COc1cc2ncnc(CC(=O)C(C)(C)C)c2cc1OC.Cc1nc2n(n1)CCN(C(C)(C)C)C2.[2H]C([2H])([2H])C(C)(O)C(C)(C)C.
What is the InChIKey of (3S,3aR,6R,6aS)-6-tert-butyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3,6-diol;[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] benzoate;1-tert-butylcyclopentan-1-ol;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;N-tert-butylpyridin-2-amine;1-tert-butyl-4-pyridin-4-ylpiperazine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;tert-butyl(trimethyl)silane;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanamide;2,2-dimethylpropanoic acid;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;3,3-dimethyl-1-quinolin-7-ylbutan-2-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methoxy-2,3,3-trimethylbutane;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;methyl 2,2,3,3-tetramethylbutanoate;2,2,3,3-tetramethylbutane;1,1,1-trideuterio-2,3,3-trimethylbutan-2-ol;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol;2,3,3-trimethylbut-1-ene?
The InChIKey is NCWISZLGAQWDLS-CCOLOVSDSA-N. The full InChI is InChI=1S/C17H22O5.C16H20N2O3.2C15H19NO.C15H17NO.C14H17NO.C13H21N3.C13H16N2O.C13H19N.C10H18N4.C10H15NO.C10H18O4.C9H16N4.C9H14N2.C9H17NO2.C9H19NO.C9H17NO.C9H19N.2C9H18O2.C9H16O.C9H18O.C8H18O.C8H18.2C7H14O2.2C7H16O.C7H18Si.C7H16.C7H14.C5H11NO.C5H10O2.C4H10O/c1-16(2,3)17(19)10-21-13-12(9-20-14(13)17)22-15(18)11-7-5-4-6-8-11;1-16(2,3)15(19)8-12-10-6-13(20-4)14(21-5)7-11(10)17-9-18-12;1-15(2,3)8-10-17-13-6-7-14-12(11-13)5-4-9-16-14;1-15(2,3)8-10-17-13-7-6-12-5-4-9-16-14(12)11-13;1-15(2,3)14(17)10-11-6-7-12-5-4-8-16-13(12)9-11;1-14(2,3)13(16)7-10-4-5-11-8-15-9-12(11)6-10;1-13(2,3)16-10-8-15(9-11-16)12-4-6-14-7-5-12;1-13(2,3)12(16)7-9-4-5-11-10(6-9)8-14-15-11;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-8-11-9-7-13(10(2,3)4)5-6-14(9)12-8;1-10(2,3)12-8-9-6-4-5-7-11-9;1-9(2,3)10(12)5-14-7-6(11)4-13-8(7)10;1-9(2,3)12-4-5-13-8(6-12)10-7-11-13;1-9(2,3)11-8-6-4-5-7-10-8;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8-10-4-6-11-7-5-10;1-9(2,3)8(11)10-6-4-5-7-10;1-9(2,3)8-10-6-4-5-7-10;1-8(2,3)9(10)4-6-11-7-5-9;1-8(2,3)9(4,5)7(10)11-6;1-9(2,3)8(10)6-7-4-5-7;1-8(2,3)9(10)6-4-5-7-9;1-7(2,3)8(4,5)9-6;1-7(2,3)8(4,5)6;1-6(2,3)7(8)4-9-5-7;1-5-9-6(8)7(2,3)4;2*1-6(2,3)7(4,5)8;1-7(2,3)8(4,5)6;2*1-6(2)7(3,4)5;2*1-5(2,3)4(6)7;1-4(2,3)5/h4-8,12-14,19H,9-10H2,1-3H3;6-7,9H,8H2,1-5H3;2*4-7,9,11H,8,10H2,1-3H3;4-9H,10H2,1-3H3;4-6,8H,7,9H2,1-3H3;4-7H,8-11H2,1-3H3;4-6,8H,7H2,1-3H3,(H,14,15);4-5,8,14H,6-7,9H2,1-3H3;5-7H2,1-4H3;4-7H,8H2,1-3H3;6-8,11-12H,4-5H2,1-3H3;7H,4-6H2,1-3H3;4-7H,1-3H3,(H,10,11);4-7H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3;4-8H2,1-3H3;10H,4-7H2,1-3H3;1-6H3;7H,4-6H2,1-3H3;10H,4-7H2,1-3H3;1-6H3;1-6H3;8H,4-5H2,1-3H3;5H2,1-4H3;2*8H,1-5H3;1-6H3;6H,1-5H3;1H2,2-5H3;1-3H3,(H2,6,7);1-3H3,(H,6,7);5H,1-3H3/t12-,13+,14-,17+;;;;;;;;;;;6-,7+,8-,10+;;;;;;;;;;;;;;;;;;;;;;/m0..........0....................../s1/i;;;;;;;;;;;;;;;;;;;;;;;;;;4D3;;;;;;;.
What are the key properties of (3S,3aR,6R,6aS)-6-tert-butyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3,6-diol;[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] benzoate;1-tert-butylcyclopentan-1-ol;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;N-tert-butylpyridin-2-amine;1-tert-butyl-4-pyridin-4-ylpiperazine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;tert-butyl(trimethyl)silane;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanamide;2,2-dimethylpropanoic acid;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;3,3-dimethyl-1-quinolin-7-ylbutan-2-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methoxy-2,3,3-trimethylbutane;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;methyl 2,2,3,3-tetramethylbutanoate;2,2,3,3-tetramethylbutane;1,1,1-trideuterio-2,3,3-trimethylbutan-2-ol;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol;2,3,3-trimethylbut-1-ene?
(3S,3aR,6R,6aS)-6-tert-butyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3,6-diol;[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] benzoate;1-tert-butylcyclopentan-1-ol;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;N-tert-butylpyridin-2-amine;1-tert-butyl-4-pyridin-4-ylpiperazine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;tert-butyl(trimethyl)silane;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanamide;2,2-dimethylpropanoic acid;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;3,3-dimethyl-1-quinolin-7-ylbutan-2-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methoxy-2,3,3-trimethylbutane;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;methyl 2,2,3,3-tetramethylbutanoate;2,2,3,3-tetramethylbutane;1,1,1-trideuterio-2,3,3-trimethylbutan-2-ol;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol;2,3,3-trimethylbut-1-ene has a molecular weight of 5583.44 g/mol, XLogP of 69.87, 30 rotatable bonds, 14 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6R,6aS)-6-tert-butyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3,6-diol;[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] benzoate;1-tert-butylcyclopentan-1-ol;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;N-tert-butylpyridin-2-amine;1-tert-butyl-4-pyridin-4-ylpiperazine;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;tert-butyl(trimethyl)silane;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanamide;2,2-dimethylpropanoic acid;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;3,3-dimethyl-1-quinolin-7-ylbutan-2-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methoxy-2,3,3-trimethylbutane;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;methyl 2,2,3,3-tetramethylbutanoate;2,2,3,3-tetramethylbutane;1,1,1-trideuterio-2,3,3-trimethylbutan-2-ol;2,2,3-trimethylbutane;2,3,3-trimethylbutan-2-ol;2,3,3-trimethylbut-1-ene is sourced from PubChem (CID 159744502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).