(1S,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-5-methylsulfonylpentan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-5-methylsulfonylpent-4-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,7aS)-1-[(E,2R)-5-fluoro-5-methylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-[4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;ethene

C106H156FNO11S4 — CID 160663891

IUPAC(1S,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-5-methylsulfonylpentan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-5-methylsulfonylpent-4-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,7aS)-1-[(E,2R)-5-fluoro-5-methylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-[4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;ethene
SMILESC=C.C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)C(C(C)C/C=C/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(\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)CCCS(C)(=O)=O)=CC[C@@H]12.[H]N=S(=O)(CCC(C)C1CCC2/C(=C/C=C3/C[C@@H](O)CCC3=C)CCC[C@@]21C)c1ccccc1
InChIInChI=1S/C29H41NO2S.C25H35FO3S.2C25H38O3S.C2H4/c1-21-11-14-25(31)20-24(21)13-12-23-8-7-18-29(3)27(15-16-28(23)29)22(2)17-19-33(30,32)26-9-5-4-6-10-26;1-17-7-11-21(27)16-20(17)10-9-19-6-5-15-25(3)22(12-13-23(19)25)18(2)8-14-24(26)30(4,28)29;2*1-18-9-12-22(26)17-21(18)11-10-20-8-5-15-25(3)23(13-14-24(20)25)19(2)7-6-16-29(4,27)28;1-2/h4-6,9-10,12-13,22,25,27-28,30-31H,1,7-8,11,14-20H2,2-3H3;9-10,12,14,18,21,23,27H,1,5-8,11,13,15-16H2,2-4H3;10-11,13,19,22,24,26H,1,5-9,12,14-17H2,2-4H3;6,10-11,16,19,22-24,26H,1,5,7-9,12-15,17H2,2-4H3;1-2H2/b23-12+,24-13-;19-9+,20-10-,24-14+;20-10+,21-11-;16-6+,20-10+,21-11-;/t22?,25-,27?,28?,29+,33?;18-,21+,23+,25-;19-,22+,24+,25-;19?,22-,23?,24-,25+;/m0110./s1
InChIKeyRMAOYZYHJOZTAY-UPHIGWRBSA-N
MW1767.68 g/mol
LogP25.33
Rot. Bonds22

About (1S,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-5-methylsulfonylpentan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-5-methylsulfonylpent-4-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,7aS)-1-[(E,2R)-5-fluoro-5-methylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-[4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;ethene

(1S,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-5-methylsulfonylpentan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-5-methylsulfonylpent-4-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,7aS)-1-[(E,2R)-5-fluoro-5-methylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-[4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;ethene (PubChem CID 160663891) has the molecular formula C106H156FNO11S4 and a molecular weight of 1767.68 g/mol. Its IUPAC name is (1S,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-5-methylsulfonylpentan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-5-methylsulfonylpent-4-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,7aS)-1-[(E,2R)-5-fluoro-5-methylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-[4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;ethene.

Molecular Properties

Compound Name(1S,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-5-methylsulfonylpentan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-5-methylsulfonylpent-4-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,7aS)-1-[(E,2R)-5-fluoro-5-methylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-[4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;ethene
PubChem CID160663891
Molecular FormulaC106H156FNO11S4
Molecular Weight1767.68 g/mol
Exact Mass1766.05
IUPAC Name(1S,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-5-methylsulfonylpentan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-5-methylsulfonylpent-4-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,7aS)-1-[(E,2R)-5-fluoro-5-methylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-[4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;ethene
SMILESC=C.C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)C(C(C)C/C=C/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(\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)CCCS(C)(=O)=O)=CC[C@@H]12.[H]N=S(=O)(CCC(C)C1CCC2/C(=C/C=C3/C[C@@H](O)CCC3=C)CCC[C@@]21C)c1ccccc1
InChIInChI=1S/C29H41NO2S.C25H35FO3S.2C25H38O3S.C2H4/c1-21-11-14-25(31)20-24(21)13-12-23-8-7-18-29(3)27(15-16-28(23)29)22(2)17-19-33(30,32)26-9-5-4-6-10-26;1-17-7-11-21(27)16-20(17)10-9-19-6-5-15-25(3)22(12-13-23(19)25)18(2)8-14-24(26)30(4,28)29;2*1-18-9-12-22(26)17-21(18)11-10-20-8-5-15-25(3)23(13-14-24(20)25)19(2)7-6-16-29(4,27)28;1-2/h4-6,9-10,12-13,22,25,27-28,30-31H,1,7-8,11,14-20H2,2-3H3;9-10,12,14,18,21,23,27H,1,5-8,11,13,15-16H2,2-4H3;10-11,13,19,22,24,26H,1,5-9,12,14-17H2,2-4H3;6,10-11,16,19,22-24,26H,1,5,7-9,12-15,17H2,2-4H3;1-2H2/b23-12+,24-13-;19-9+,20-10-,24-14+;20-10+,21-11-;16-6+,20-10+,21-11-;/t22?,25-,27?,28?,29+,33?;18-,21+,23+,25-;19-,22+,24+,25-;19?,22-,23?,24-,25+;/m0110./s1
InChIKeyRMAOYZYHJOZTAY-UPHIGWRBSA-N
XLogP25.33
TPSA224.26 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001767.68
LogP ≤ 525.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (1S,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-5-methylsulfonylpentan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-5-methylsulfonylpent-4-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,7aS)-1-[(E,2R)-5-fluoro-5-methylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-[4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;ethene with MolForge

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Related Compounds

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-5-(phenylsulfonimidoyl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 134472073
(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[5-(phenylsulfonimidoyl)pentan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 88929342
(3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-5-methylsulfonylpent-4-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 134472056
trans-(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
CID 25041564
5-[2-[(7aS)-1-[(2R)-5-(benzenesulfonyl)pentan-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 91304129
(1S,3Z)-3-[(2E)-2-[(3aS,7aS)-1-(5,5-difluoro-5-methylsulfonylpentan-2-yl)-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 134472057
(3Z)-3-[(2E)-2-[1-[(Z,2R)-5-(benzenesulfinyl)-5-chloropent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;ethane
CID 142907597
(1S,3Z)-3-[(2E)-2-[(3aS,7aS)-1-[(2R)-5-tert-butylsulfonyl-5-fluorohexan-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 142019795
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 5283675
(1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 88558217
(3Z)-3-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 5363362
3-[2-[(7aR)-7a-methyl-1-[7,7,7-trideuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 146156579

Frequently Asked Questions

What is the IUPAC name of (1S,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-5-methylsulfonylpentan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-5-methylsulfonylpent-4-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,7aS)-1-[(E,2R)-5-fluoro-5-methylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-[4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;ethene?
The IUPAC name of (1S,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-5-methylsulfonylpentan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-5-methylsulfonylpent-4-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,7aS)-1-[(E,2R)-5-fluoro-5-methylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-[4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;ethene (CID 160663891) is (1S,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-5-methylsulfonylpentan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-5-methylsulfonylpent-4-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,7aS)-1-[(E,2R)-5-fluoro-5-methylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-[4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;ethene.
What is the SMILES notation for (1S,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-5-methylsulfonylpentan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-5-methylsulfonylpent-4-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,7aS)-1-[(E,2R)-5-fluoro-5-methylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-[4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;ethene?
The canonical SMILES for (1S,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-5-methylsulfonylpentan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-5-methylsulfonylpent-4-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,7aS)-1-[(E,2R)-5-fluoro-5-methylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-[4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;ethene is C=C.C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)C(C(C)C/C=C/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(\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)CCCS(C)(=O)=O)=CC[C@@H]12.[H]N=S(=O)(CCC(C)C1CCC2/C(=C/C=C3/C[C@@H](O)CCC3=C)CCC[C@@]21C)c1ccccc1.
What is the InChIKey of (1S,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-5-methylsulfonylpentan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-5-methylsulfonylpent-4-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,7aS)-1-[(E,2R)-5-fluoro-5-methylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-[4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;ethene?
The InChIKey is RMAOYZYHJOZTAY-UPHIGWRBSA-N. The full InChI is InChI=1S/C29H41NO2S.C25H35FO3S.2C25H38O3S.C2H4/c1-21-11-14-25(31)20-24(21)13-12-23-8-7-18-29(3)27(15-16-28(23)29)22(2)17-19-33(30,32)26-9-5-4-6-10-26;1-17-7-11-21(27)16-20(17)10-9-19-6-5-15-25(3)22(12-13-23(19)25)18(2)8-14-24(26)30(4,28)29;2*1-18-9-12-22(26)17-21(18)11-10-20-8-5-15-25(3)23(13-14-24(20)25)19(2)7-6-16-29(4,27)28;1-2/h4-6,9-10,12-13,22,25,27-28,30-31H,1,7-8,11,14-20H2,2-3H3;9-10,12,14,18,21,23,27H,1,5-8,11,13,15-16H2,2-4H3;10-11,13,19,22,24,26H,1,5-9,12,14-17H2,2-4H3;6,10-11,16,19,22-24,26H,1,5,7-9,12-15,17H2,2-4H3;1-2H2/b23-12+,24-13-;19-9+,20-10-,24-14+;20-10+,21-11-;16-6+,20-10+,21-11-;/t22?,25-,27?,28?,29+,33?;18-,21+,23+,25-;19-,22+,24+,25-;19?,22-,23?,24-,25+;/m0110./s1.
What are the key properties of (1S,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-5-methylsulfonylpentan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-5-methylsulfonylpent-4-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,7aS)-1-[(E,2R)-5-fluoro-5-methylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-[4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;ethene?
(1S,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-5-methylsulfonylpentan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-5-methylsulfonylpent-4-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,7aS)-1-[(E,2R)-5-fluoro-5-methylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-[4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;ethene has a molecular weight of 1767.68 g/mol, XLogP of 25.33, 22 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3Z)-3-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(2R)-5-methylsulfonylpentan-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(E)-5-methylsulfonylpent-4-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,7aS)-1-[(E,2R)-5-fluoro-5-methylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;(1S,3Z)-3-[(2E)-2-[(7aR)-7a-methyl-1-[4-(phenylsulfonimidoyl)butan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;ethene is sourced from PubChem (CID 160663891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).