About [(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-6a-methyl-2,3,3a,5-tetrahydrofuro[3,2-b]furan-3-yl] benzoate;3-tert-butylazetidin-3-ol;1-tert-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;3-tert-butyl-3-fluorooxetane;1-(4-tert-butyl-4-hydroxypiperidin-1-yl)ethanone;(4-tert-butyl-4-hydroxypiperidin-1-yl)-(4-phenoxy-2-pyridinyl)methanone;3-tert-butyl-3-methoxyoxetane;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpiperidin-4-ol;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;(3-tert-butyloxetan-3-yl) 5-morpholin-4-ylpentanoate;4-tert-butylpiperidin-4-ol;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2,3,3-tetramethylbutan-1-ol
[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-6a-methyl-2,3,3a,5-tetrahydrofuro[3,2-b]furan-3-yl] benzoate;3-tert-butylazetidin-3-ol;1-tert-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;3-tert-butyl-3-fluorooxetane;1-(4-tert-butyl-4-hydroxypiperidin-1-yl)ethanone;(4-tert-butyl-4-hydroxypiperidin-1-yl)-(4-phenoxy-2-pyridinyl)methanone;3-tert-butyl-3-methoxyoxetane;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpiperidin-4-ol;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;(3-tert-butyloxetan-3-yl) 5-morpholin-4-ylpentanoate;4-tert-butylpiperidin-4-ol;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2,3,3-tetramethylbutan-1-ol (PubChem CID 159205705) has the molecular formula C221H377FN18O31
and a molecular weight of 3801.54 g/mol. Its IUPAC name is [(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-6a-methyl-2,3,3a,5-tetrahydrofuro[3,2-b]furan-3-yl] benzoate;3-tert-butylazetidin-3-ol;1-tert-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;3-tert-butyl-3-fluorooxetane;1-(4-tert-butyl-4-hydroxypiperidin-1-yl)ethanone;(4-tert-butyl-4-hydroxypiperidin-1-yl)-(4-phenoxy-2-pyridinyl)methanone;3-tert-butyl-3-methoxyoxetane;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpiperidin-4-ol;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;(3-tert-butyloxetan-3-yl) 5-morpholin-4-ylpentanoate;4-tert-butylpiperidin-4-ol;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2,3,3-tetramethylbutan-1-ol.
Frequently Asked Questions
What is the IUPAC name of [(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-6a-methyl-2,3,3a,5-tetrahydrofuro[3,2-b]furan-3-yl] benzoate;3-tert-butylazetidin-3-ol;1-tert-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;3-tert-butyl-3-fluorooxetane;1-(4-tert-butyl-4-hydroxypiperidin-1-yl)ethanone;(4-tert-butyl-4-hydroxypiperidin-1-yl)-(4-phenoxy-2-pyridinyl)methanone;3-tert-butyl-3-methoxyoxetane;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpiperidin-4-ol;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;(3-tert-butyloxetan-3-yl) 5-morpholin-4-ylpentanoate;4-tert-butylpiperidin-4-ol;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2,3,3-tetramethylbutan-1-ol?
The IUPAC name of [(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-6a-methyl-2,3,3a,5-tetrahydrofuro[3,2-b]furan-3-yl] benzoate;3-tert-butylazetidin-3-ol;1-tert-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;3-tert-butyl-3-fluorooxetane;1-(4-tert-butyl-4-hydroxypiperidin-1-yl)ethanone;(4-tert-butyl-4-hydroxypiperidin-1-yl)-(4-phenoxy-2-pyridinyl)methanone;3-tert-butyl-3-methoxyoxetane;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpiperidin-4-ol;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;(3-tert-butyloxetan-3-yl) 5-morpholin-4-ylpentanoate;4-tert-butylpiperidin-4-ol;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2,3,3-tetramethylbutan-1-ol (CID 159205705) is [(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-6a-methyl-2,3,3a,5-tetrahydrofuro[3,2-b]furan-3-yl] benzoate;3-tert-butylazetidin-3-ol;1-tert-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;3-tert-butyl-3-fluorooxetane;1-(4-tert-butyl-4-hydroxypiperidin-1-yl)ethanone;(4-tert-butyl-4-hydroxypiperidin-1-yl)-(4-phenoxy-2-pyridinyl)methanone;3-tert-butyl-3-methoxyoxetane;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpiperidin-4-ol;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;(3-tert-butyloxetan-3-yl) 5-morpholin-4-ylpentanoate;4-tert-butylpiperidin-4-ol;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2,3,3-tetramethylbutan-1-ol.
What is the SMILES notation for [(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-6a-methyl-2,3,3a,5-tetrahydrofuro[3,2-b]furan-3-yl] benzoate;3-tert-butylazetidin-3-ol;1-tert-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;3-tert-butyl-3-fluorooxetane;1-(4-tert-butyl-4-hydroxypiperidin-1-yl)ethanone;(4-tert-butyl-4-hydroxypiperidin-1-yl)-(4-phenoxy-2-pyridinyl)methanone;3-tert-butyl-3-methoxyoxetane;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpiperidin-4-ol;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;(3-tert-butyloxetan-3-yl) 5-morpholin-4-ylpentanoate;4-tert-butylpiperidin-4-ol;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2,3,3-tetramethylbutan-1-ol?
The canonical SMILES for [(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-6a-methyl-2,3,3a,5-tetrahydrofuro[3,2-b]furan-3-yl] benzoate;3-tert-butylazetidin-3-ol;1-tert-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;3-tert-butyl-3-fluorooxetane;1-(4-tert-butyl-4-hydroxypiperidin-1-yl)ethanone;(4-tert-butyl-4-hydroxypiperidin-1-yl)-(4-phenoxy-2-pyridinyl)methanone;3-tert-butyl-3-methoxyoxetane;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpiperidin-4-ol;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;(3-tert-butyloxetan-3-yl) 5-morpholin-4-ylpentanoate;4-tert-butylpiperidin-4-ol;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2,3,3-tetramethylbutan-1-ol is CC(=O)N1CCC(O)(C(C)(C)C)CC1.CC(C)(C)C(C)(C)CO.CC(C)(C)C1(C)COC1.CC(C)(C)C1(F)COC1.CC(C)(C)C1(O)CCC1.CC(C)(C)C1(O)CCCC1.CC(C)(C)C1(O)CCN(C(=O)c2cc(Oc3ccccc3)ccn2)CC1.CC(C)(C)C1(O)CCNCC1.CC(C)(C)C1(O)CCOCC1.CC(C)(C)C1(O)CNC1.CC(C)(C)C1(O)COC1.CC(C)(C)C1(OC(=O)CCCCN2CCOCC2)COC1.CC(C)(C)CCOc1ccc2cccnc2c1.CC(C)(C)CCOc1ccc2ncccc2c1.CC(C)(C)CCOc1cccc2ncccc12.CC(C)(C)[C@@]1(O)CO[C@@H]2[C@@H](OC(=O)c3ccccc3)CO[C@@]21C.CN1CCC(O)(C(C)(C)C)CC1.COC1(C(C)(C)C)COC1.Cc1nc2n(n1)CCN(C(C)(C)C)C2.Cc1nnc2n1CCN(C(C)(C)C)C2.
What is the InChIKey of [(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-6a-methyl-2,3,3a,5-tetrahydrofuro[3,2-b]furan-3-yl] benzoate;3-tert-butylazetidin-3-ol;1-tert-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;3-tert-butyl-3-fluorooxetane;1-(4-tert-butyl-4-hydroxypiperidin-1-yl)ethanone;(4-tert-butyl-4-hydroxypiperidin-1-yl)-(4-phenoxy-2-pyridinyl)methanone;3-tert-butyl-3-methoxyoxetane;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpiperidin-4-ol;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;(3-tert-butyloxetan-3-yl) 5-morpholin-4-ylpentanoate;4-tert-butylpiperidin-4-ol;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2,3,3-tetramethylbutan-1-ol?
The InChIKey is KPVXCMZOMCJWPS-IRHHDSQFSA-N. The full InChI is InChI=1S/C21H26N2O3.C18H24O5.C16H29NO4.3C15H19NO.C11H21NO2.2C10H18N4.C10H21NO.C9H19NO.C9H18O2.C9H18O.C8H16O2.2C8H16O.C8H18O.C7H13FO.C7H15NO.C7H14O2/c1-20(2,3)21(25)10-13-23(14-11-21)19(24)18-15-17(9-12-22-18)26-16-7-5-4-6-8-16;1-16(2,3)18(20)11-21-14-13(10-22-17(14,18)4)23-15(19)12-8-6-5-7-9-12;1-15(2,3)16(12-20-13-16)21-14(18)6-4-5-7-17-8-10-19-11-9-17;1-15(2,3)9-11-17-14-8-4-7-13-12(14)6-5-10-16-13;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;1-9(13)12-7-5-11(14,6-8-12)10(2,3)4;1-8-11-12-9-7-13(10(2,3)4)5-6-14(8)9;1-8-11-9-7-13(10(2,3)4)5-6-14(9)12-8;1-9(2,3)10(12)5-7-11(4)8-6-10;1-8(2,3)9(11)4-6-10-7-5-9;1-8(2,3)9(10)4-6-11-7-5-9;1-8(2,3)9(10)6-4-5-7-9;1-7(2,3)8(9-4)5-10-6-8;1-7(2,3)8(4)5-9-6-8;1-7(2,3)8(9)5-4-6-8;1-7(2,3)8(4,5)6-9;1-6(2,3)7(8)4-9-5-7;1-6(2,3)7(9)4-8-5-7;1-6(2,3)7(8)4-9-5-7/h4-9,12,15,25H,10-11,13-14H2,1-3H3;5-9,13-14,20H,10-11H2,1-4H3;4-13H2,1-3H3;4-8,10H,9,11H2,1-3H3;2*4-7,9,11H,8,10H2,1-3H3;14H,5-8H2,1-4H3;2*5-7H2,1-4H3;12H,5-8H2,1-4H3;10-11H,4-7H2,1-3H3;10H,4-7H2,1-3H3;10H,4-7H2,1-3H3;5-6H2,1-4H3;5-6H2,1-4H3;9H,4-6H2,1-3H3;9H,6H2,1-5H3;4-5H2,1-3H3;8-9H,4-5H2,1-3H3;8H,4-5H2,1-3H3/t;13-,14+,17-,18-;;;;;;;;;;;;;;;;;;/m.0................../s1.
What are the key properties of [(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-6a-methyl-2,3,3a,5-tetrahydrofuro[3,2-b]furan-3-yl] benzoate;3-tert-butylazetidin-3-ol;1-tert-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;3-tert-butyl-3-fluorooxetane;1-(4-tert-butyl-4-hydroxypiperidin-1-yl)ethanone;(4-tert-butyl-4-hydroxypiperidin-1-yl)-(4-phenoxy-2-pyridinyl)methanone;3-tert-butyl-3-methoxyoxetane;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpiperidin-4-ol;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;(3-tert-butyloxetan-3-yl) 5-morpholin-4-ylpentanoate;4-tert-butylpiperidin-4-ol;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2,3,3-tetramethylbutan-1-ol?
[(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-6a-methyl-2,3,3a,5-tetrahydrofuro[3,2-b]furan-3-yl] benzoate;3-tert-butylazetidin-3-ol;1-tert-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;3-tert-butyl-3-fluorooxetane;1-(4-tert-butyl-4-hydroxypiperidin-1-yl)ethanone;(4-tert-butyl-4-hydroxypiperidin-1-yl)-(4-phenoxy-2-pyridinyl)methanone;3-tert-butyl-3-methoxyoxetane;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpiperidin-4-ol;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;(3-tert-butyloxetan-3-yl) 5-morpholin-4-ylpentanoate;4-tert-butylpiperidin-4-ol;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2,3,3-tetramethylbutan-1-ol has a molecular weight of 3801.54 g/mol, XLogP of 40.86, 22 rotatable bonds, 13 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aR,6R,6aS)-6-tert-butyl-6-hydroxy-6a-methyl-2,3,3a,5-tetrahydrofuro[3,2-b]furan-3-yl] benzoate;3-tert-butylazetidin-3-ol;1-tert-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;3-tert-butyl-3-fluorooxetane;1-(4-tert-butyl-4-hydroxypiperidin-1-yl)ethanone;(4-tert-butyl-4-hydroxypiperidin-1-yl)-(4-phenoxy-2-pyridinyl)methanone;3-tert-butyl-3-methoxyoxetane;7-tert-butyl-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpiperidin-4-ol;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;(3-tert-butyloxetan-3-yl) 5-morpholin-4-ylpentanoate;4-tert-butylpiperidin-4-ol;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;2,2,3,3-tetramethylbutan-1-ol is sourced from PubChem (CID 159205705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).