(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-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;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;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine

C156H256N14O19 — CID 157472815

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-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;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;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine
SMILESCC(C)(C)C1(O)CCC1.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)CCOc1cccc2ncccc12.CC(C)(C)CN1CCCC1.CC(C)(C)CN1CCOCC1.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)c1ccc2c(c1)CNCC2.Cc1nc2n(n1)CCN(C(C)(C)C)C2.Cc1nnc2n1CCN(C(C)(C)C)C2
InChIInChI=1S/C17H22O5.3C15H19NO.C13H19N.2C10H18N4.C10H18O4.C9H19NO.C9H19N.C9H18O2.C9H18O.C8H16O.C7H14O2/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;1-15(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;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;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)5-14-7-6(11)4-13-8(7)10;1-9(2,3)8-10-4-6-11-7-5-10;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(10)6-4-5-7-9;1-7(2,3)8(9)5-4-6-8;1-6(2,3)7(8)4-9-5-7/h4-8,12-14,19H,9-10H2,1-3H3;4-8,10H,9,11H2,1-3H3;2*4-7,9,11H,8,10H2,1-3H3;4-5,8,14H,6-7,9H2,1-3H3;2*5-7H2,1-4H3;6-8,11-12H,4-5H2,1-3H3;4-8H2,1-3H3;4-8H2,1-3H3;10H,4-7H2,1-3H3;10H,4-7H2,1-3H3;9H,4-6H2,1-3H3;8H,4-5H2,1-3H3/t12-,13+,14-,17+;;;;;;;6-,7+,8-,10+;;;;;;/m0......0....../s1
InChIKeyBVFYLKLWOROYGW-JJVSLCHQSA-N
MW2631.84 g/mol
LogP29.04
Rot. Bonds13

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-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;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;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine

(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-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;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;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine (PubChem CID 157472815) has the molecular formula C156H256N14O19 and a molecular weight of 2631.84 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-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;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;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine.

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-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;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;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine
PubChem CID157472815
Molecular FormulaC156H256N14O19
Molecular Weight2631.84 g/mol
Exact Mass2629.95
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-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;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;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine
SMILESCC(C)(C)C1(O)CCC1.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)CCOc1cccc2ncccc12.CC(C)(C)CN1CCCC1.CC(C)(C)CN1CCOCC1.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)c1ccc2c(c1)CNCC2.Cc1nc2n(n1)CCN(C(C)(C)C)C2.Cc1nnc2n1CCN(C(C)(C)C)C2
InChIInChI=1S/C17H22O5.3C15H19NO.C13H19N.2C10H18N4.C10H18O4.C9H19NO.C9H19N.C9H18O2.C9H18O.C8H16O.C7H14O2/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;1-15(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;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;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)5-14-7-6(11)4-13-8(7)10;1-9(2,3)8-10-4-6-11-7-5-10;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(10)6-4-5-7-9;1-7(2,3)8(9)5-4-6-8;1-6(2,3)7(8)4-9-5-7/h4-8,12-14,19H,9-10H2,1-3H3;4-8,10H,9,11H2,1-3H3;2*4-7,9,11H,8,10H2,1-3H3;4-5,8,14H,6-7,9H2,1-3H3;2*5-7H2,1-4H3;6-8,11-12H,4-5H2,1-3H3;4-8H2,1-3H3;4-8H2,1-3H3;10H,4-7H2,1-3H3;10H,4-7H2,1-3H3;9H,4-6H2,1-3H3;8H,4-5H2,1-3H3/t12-,13+,14-,17+;;;;;;;6-,7+,8-,10+;;;;;;/m0......0....../s1
InChIKeyBVFYLKLWOROYGW-JJVSLCHQSA-N
XLogP29.04
TPSA385.29 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds13
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002631.84
LogP ≤ 529.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

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-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;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;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine 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-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;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;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine?
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-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;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;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine (CID 157472815) 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-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;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;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine.
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-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;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;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine?
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-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;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;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine is CC(C)(C)C1(O)CCC1.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)CCOc1cccc2ncccc12.CC(C)(C)CN1CCCC1.CC(C)(C)CN1CCOCC1.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)c1ccc2c(c1)CNCC2.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-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-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;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;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine?
The InChIKey is BVFYLKLWOROYGW-JJVSLCHQSA-N. The full InChI is InChI=1S/C17H22O5.3C15H19NO.C13H19N.2C10H18N4.C10H18O4.C9H19NO.C9H19N.C9H18O2.C9H18O.C8H16O.C7H14O2/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;1-15(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;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;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)5-14-7-6(11)4-13-8(7)10;1-9(2,3)8-10-4-6-11-7-5-10;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(10)6-4-5-7-9;1-7(2,3)8(9)5-4-6-8;1-6(2,3)7(8)4-9-5-7/h4-8,12-14,19H,9-10H2,1-3H3;4-8,10H,9,11H2,1-3H3;2*4-7,9,11H,8,10H2,1-3H3;4-5,8,14H,6-7,9H2,1-3H3;2*5-7H2,1-4H3;6-8,11-12H,4-5H2,1-3H3;4-8H2,1-3H3;4-8H2,1-3H3;10H,4-7H2,1-3H3;10H,4-7H2,1-3H3;9H,4-6H2,1-3H3;8H,4-5H2,1-3H3/t12-,13+,14-,17+;;;;;;;6-,7+,8-,10+;;;;;;/m0......0....../s1.
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-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;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;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine?
(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-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;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;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine has a molecular weight of 2631.84 g/mol, XLogP of 29.04, 13 rotatable bonds, 8 hydrogen bond donors, and 33 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-butylcyclobutan-1-ol;1-tert-butylcyclopentan-1-ol;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;4-tert-butyloxan-4-ol;3-tert-butyloxetan-3-ol;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline;5-(3,3-dimethylbutoxy)quinoline;6-(3,3-dimethylbutoxy)quinoline;7-(3,3-dimethylbutoxy)quinoline;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)pyrrolidine is sourced from PubChem (CID 157472815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).