(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-4-(1-methylsulfonylcyclopropyl)but-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S)-5,5-difluoro-5-methylsulfonylpent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S,5S)-5-fluoro-5-methylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;methane

C79H119F3O9S3 — CID 162118232

IUPAC(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-4-(1-methylsulfonylcyclopropyl)but-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S)-5,5-difluoro-5-methylsulfonylpent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S,5S)-5-fluoro-5-methylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;methane
SMILESC.C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)C(C(C)/C=C/C3(S(C)(=O)=O)CC3)CC[C@@H]12.C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)C([C@@H](C)/C=C/C(F)(F)S(C)(=O)=O)CC[C@@H]12.C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)C([C@@H](C)/C=C/[C@@](C)(F)S(C)(=O)=O)CC[C@@H]12
InChIInChI=1S/C27H40O3S.C26H39FO3S.C25H36F2O3S.CH4/c1-19-7-10-23(28)18-22(19)9-8-21-6-5-14-26(3)24(11-12-25(21)26)20(2)13-15-27(16-17-27)31(4,29)30;1-18-8-11-22(28)17-21(18)10-9-20-7-6-15-25(3)23(12-13-24(20)25)19(2)14-16-26(4,27)31(5,29)30;1-17-7-10-21(28)16-20(17)9-8-19-6-5-14-24(3)22(11-12-23(19)24)18(2)13-15-25(26,27)31(4,29)30;/h8-9,13,15,20,23-25,28H,1,5-7,10-12,14,16-18H2,2-4H3;9-10,14,16,19,22-24,28H,1,6-8,11-13,15,17H2,2-5H3;8-9,13,15,18,21-23,28H,1,5-7,10-12,14,16H2,2-4H3;1H4/b15-13+,21-8+,22-9-;16-14+,20-9+,21-10-;15-13+,19-8+,20-9-;/t20?,23-,24?,25-,26+;19-,22-,23?,24-,25+,26-;18-,21-,22?,23-,24+;/m000./s1
InChIKeyZHBCJBMDSBQUTQ-JUHLQMSGSA-N
MW1366.01 g/mol
LogP18.63
Rot. Bonds15

About (1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-4-(1-methylsulfonylcyclopropyl)but-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S)-5,5-difluoro-5-methylsulfonylpent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S,5S)-5-fluoro-5-methylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;methane

(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-4-(1-methylsulfonylcyclopropyl)but-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S)-5,5-difluoro-5-methylsulfonylpent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S,5S)-5-fluoro-5-methylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;methane (PubChem CID 162118232) has the molecular formula C79H119F3O9S3 and a molecular weight of 1366.01 g/mol. Its IUPAC name is (1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-4-(1-methylsulfonylcyclopropyl)but-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S)-5,5-difluoro-5-methylsulfonylpent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S,5S)-5-fluoro-5-methylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;methane.

Molecular Properties

Compound Name(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-4-(1-methylsulfonylcyclopropyl)but-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S)-5,5-difluoro-5-methylsulfonylpent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S,5S)-5-fluoro-5-methylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;methane
PubChem CID162118232
Molecular FormulaC79H119F3O9S3
Molecular Weight1366.01 g/mol
Exact Mass1364.80
IUPAC Name(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-4-(1-methylsulfonylcyclopropyl)but-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S)-5,5-difluoro-5-methylsulfonylpent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S,5S)-5-fluoro-5-methylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;methane
SMILESC.C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)C(C(C)/C=C/C3(S(C)(=O)=O)CC3)CC[C@@H]12.C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)C([C@@H](C)/C=C/C(F)(F)S(C)(=O)=O)CC[C@@H]12.C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)C([C@@H](C)/C=C/[C@@](C)(F)S(C)(=O)=O)CC[C@@H]12
InChIInChI=1S/C27H40O3S.C26H39FO3S.C25H36F2O3S.CH4/c1-19-7-10-23(28)18-22(19)9-8-21-6-5-14-26(3)24(11-12-25(21)26)20(2)13-15-27(16-17-27)31(4,29)30;1-18-8-11-22(28)17-21(18)10-9-20-7-6-15-25(3)23(12-13-24(20)25)19(2)14-16-26(4,27)31(5,29)30;1-17-7-10-21(28)16-20(17)9-8-19-6-5-14-24(3)22(11-12-23(19)24)18(2)13-15-25(26,27)31(4,29)30;/h8-9,13,15,20,23-25,28H,1,5-7,10-12,14,16-18H2,2-4H3;9-10,14,16,19,22-24,28H,1,6-8,11-13,15,17H2,2-5H3;8-9,13,15,18,21-23,28H,1,5-7,10-12,14,16H2,2-4H3;1H4/b15-13+,21-8+,22-9-;16-14+,20-9+,21-10-;15-13+,19-8+,20-9-;/t20?,23-,24?,25-,26+;19-,22-,23?,24-,25+,26-;18-,21-,22?,23-,24+;/m000./s1
InChIKeyZHBCJBMDSBQUTQ-JUHLQMSGSA-N
XLogP18.63
TPSA163.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001366.01
LogP ≤ 518.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-4-(1-methylsulfonylcyclopropyl)but-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S)-5,5-difluoro-5-methylsulfonylpent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S,5S)-5-fluoro-5-methylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-5-methyl-5-methylsulfonylhex-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-4-(1-methylsulfonylcyclopropyl)but-3-en-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(3Z)-3-[(2E)-2-[1-[(E)-5,5-difluoro-5-methylsulfonylpent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(3Z)-3-[(2E)-2-[1-[(E)-5-fluoro-5-methylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;methane
CID 159157695
(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,5R)-5-tert-butylsulfonyl-5-fluorohex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 131966547
(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2R)-4-(1-tert-butylsulfonylcyclopropyl)but-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 53330691
(3Z)-3-[(2E)-2-[1-[(E)-5-tert-butylsulfonyl-5-methylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 53330175
(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2R,5R)-5-tert-butylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 53330521
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 6443813
(E,3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-ene-2,3-diol
CID 5314030
(E,3R,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylhept-4-ene-2,3-diol
CID 5283699
(1R,3Z)-3-[(2E)-2-[1-[(E,2S,5R)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 176520112
(E,3R,6R)-6-[(1R,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-ene-1,2,3-triol
CID 6439162
(1S,3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-4-methylidenecyclohexan-1-ol
CID 142026083
(6R)-6-[(1R,7aR)-4-[2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylhept-4-en-3-one
CID 57116123

Frequently Asked Questions

What is the IUPAC name of (1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-4-(1-methylsulfonylcyclopropyl)but-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S)-5,5-difluoro-5-methylsulfonylpent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S,5S)-5-fluoro-5-methylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;methane?
The IUPAC name of (1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-4-(1-methylsulfonylcyclopropyl)but-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S)-5,5-difluoro-5-methylsulfonylpent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S,5S)-5-fluoro-5-methylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;methane (CID 162118232) is (1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-4-(1-methylsulfonylcyclopropyl)but-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S)-5,5-difluoro-5-methylsulfonylpent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S,5S)-5-fluoro-5-methylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;methane.
What is the SMILES notation for (1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-4-(1-methylsulfonylcyclopropyl)but-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S)-5,5-difluoro-5-methylsulfonylpent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S,5S)-5-fluoro-5-methylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;methane?
The canonical SMILES for (1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-4-(1-methylsulfonylcyclopropyl)but-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S)-5,5-difluoro-5-methylsulfonylpent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S,5S)-5-fluoro-5-methylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;methane is C.C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)C(C(C)/C=C/C3(S(C)(=O)=O)CC3)CC[C@@H]12.C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)C([C@@H](C)/C=C/C(F)(F)S(C)(=O)=O)CC[C@@H]12.C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)C([C@@H](C)/C=C/[C@@](C)(F)S(C)(=O)=O)CC[C@@H]12.
What is the InChIKey of (1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-4-(1-methylsulfonylcyclopropyl)but-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S)-5,5-difluoro-5-methylsulfonylpent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S,5S)-5-fluoro-5-methylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;methane?
The InChIKey is ZHBCJBMDSBQUTQ-JUHLQMSGSA-N. The full InChI is InChI=1S/C27H40O3S.C26H39FO3S.C25H36F2O3S.CH4/c1-19-7-10-23(28)18-22(19)9-8-21-6-5-14-26(3)24(11-12-25(21)26)20(2)13-15-27(16-17-27)31(4,29)30;1-18-8-11-22(28)17-21(18)10-9-20-7-6-15-25(3)23(12-13-24(20)25)19(2)14-16-26(4,27)31(5,29)30;1-17-7-10-21(28)16-20(17)9-8-19-6-5-14-24(3)22(11-12-23(19)24)18(2)13-15-25(26,27)31(4,29)30;/h8-9,13,15,20,23-25,28H,1,5-7,10-12,14,16-18H2,2-4H3;9-10,14,16,19,22-24,28H,1,6-8,11-13,15,17H2,2-5H3;8-9,13,15,18,21-23,28H,1,5-7,10-12,14,16H2,2-4H3;1H4/b15-13+,21-8+,22-9-;16-14+,20-9+,21-10-;15-13+,19-8+,20-9-;/t20?,23-,24?,25-,26+;19-,22-,23?,24-,25+,26-;18-,21-,22?,23-,24+;/m000./s1.
What are the key properties of (1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-4-(1-methylsulfonylcyclopropyl)but-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S)-5,5-difluoro-5-methylsulfonylpent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S,5S)-5-fluoro-5-methylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;methane?
(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-4-(1-methylsulfonylcyclopropyl)but-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S)-5,5-difluoro-5-methylsulfonylpent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S,5S)-5-fluoro-5-methylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;methane has a molecular weight of 1366.01 g/mol, XLogP of 18.63, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-4-(1-methylsulfonylcyclopropyl)but-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S)-5,5-difluoro-5-methylsulfonylpent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S,5S)-5-fluoro-5-methylsulfonylhex-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;methane is sourced from PubChem (CID 162118232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).