(3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-6,6,6-trifluoro-5,5-dimethylhex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol

C27H37F3O — CID 143095761

IUPAC(3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-6,6,6-trifluoro-5,5-dimethylhex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
SMILESC=C1/C(=C\C=C2/CCCC3(C)C(CC/C=C/C(C)(C)C(F)(F)F)=CCC23)CCCC1O
InChIInChI=1S/C27H37F3O/c1-19-20(9-7-12-24(19)31)13-14-21-10-8-18-26(4)22(15-16-23(21)26)11-5-6-17-25(2,3)27(28,29)30/h6,13-15,17,23-24,31H,1,5,7-12,16,18H2,2-4H3/b17-6+,20-13-,21-14+
InChIKeyHYLGNVJBIFQPEI-RHZGIIMVSA-N
MW434.59 g/mol
LogP8.00
Rot. Bonds5

About (3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-6,6,6-trifluoro-5,5-dimethylhex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol

(3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-6,6,6-trifluoro-5,5-dimethylhex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol (PubChem CID 143095761) has the molecular formula C27H37F3O and a molecular weight of 434.59 g/mol. Its IUPAC name is (3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-6,6,6-trifluoro-5,5-dimethylhex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name(3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-6,6,6-trifluoro-5,5-dimethylhex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
PubChem CID143095761
Molecular FormulaC27H37F3O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name(3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-6,6,6-trifluoro-5,5-dimethylhex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
SMILESC=C1/C(=C\C=C2/CCCC3(C)C(CC/C=C/C(C)(C)C(F)(F)F)=CCC23)CCCC1O
InChIInChI=1S/C27H37F3O/c1-19-20(9-7-12-24(19)31)13-14-21-10-8-18-26(4)22(15-16-23(21)26)11-5-6-17-25(2,3)27(28,29)30/h6,13-15,17,23-24,31H,1,5,7-12,16,18H2,2-4H3/b17-6+,20-13-,21-14+
InChIKeyHYLGNVJBIFQPEI-RHZGIIMVSA-N
XLogP8.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-6,6,6-trifluoro-5,5-dimethylhex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol 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-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
CID 142115399
(1S,3Z)-3-[(2E)-2-[(1R,7aR)-7a-methyl-1-[1-[(Z)-5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pent-2-enyl]cyclopropyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
CID 59061874
[(1R,5R)-3-[(2E)-2-[(7aS)-7a-methyl-1-[(Z)-6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-acetyloxycyclohexyl] acetate
CID 143025629
trans-(1S,3R,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(5E)-5-methoxyimino-6,6-dimethylheptyl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 89365241
trans-(1R,3S,5Z)-5-[(2E)-2-[(7aS)-7a-methyl-1-[(Z,2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)hept-4-en-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 89080620
trans-(1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(E,2R)-8-hydroxy-8-methylnon-6-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 24779630
tert-butyl 2-[[(3aS,7aS)-4-[2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]methoxy]acetate
CID 87347118
(3S,5Z)-5-[(2E)-2-[(7aS)-1-[1-(2-hydroxy-2-methylpropyl)cyclopropyl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 89080466
(E,7S)-7-[(4E,7aS)-4-[(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]-3-ethyloct-4-en-3-ol
CID 143018965
(E)-3-ethyl-7-[(4E)-4-[(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]oct-4-en-3-ol
CID 143086895
3-methylpentan-3-yl 2-[[(4Z)-4-[(2E)-2-(3,5-dihydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]methoxy]acetate
CID 10182940
trans-(1S,3S)-5-[2-[(3aS,7aS)-1-ethyl-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-1-[(2S,3S)-2-hydroxy-3-methylpentoxy]-4-methylidenecyclohexane-1,3-diol
CID 91051196

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-6,6,6-trifluoro-5,5-dimethylhex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol?
The IUPAC name of (3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-6,6,6-trifluoro-5,5-dimethylhex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol (CID 143095761) is (3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-6,6,6-trifluoro-5,5-dimethylhex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol.
What is the SMILES notation for (3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-6,6,6-trifluoro-5,5-dimethylhex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol?
The canonical SMILES for (3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-6,6,6-trifluoro-5,5-dimethylhex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol is C=C1/C(=C\C=C2/CCCC3(C)C(CC/C=C/C(C)(C)C(F)(F)F)=CCC23)CCCC1O.
What is the InChIKey of (3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-6,6,6-trifluoro-5,5-dimethylhex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol?
The InChIKey is HYLGNVJBIFQPEI-RHZGIIMVSA-N. The full InChI is InChI=1S/C27H37F3O/c1-19-20(9-7-12-24(19)31)13-14-21-10-8-18-26(4)22(15-16-23(21)26)11-5-6-17-25(2,3)27(28,29)30/h6,13-15,17,23-24,31H,1,5,7-12,16,18H2,2-4H3/b17-6+,20-13-,21-14+.
What are the key properties of (3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-6,6,6-trifluoro-5,5-dimethylhex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol?
(3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-6,6,6-trifluoro-5,5-dimethylhex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol has a molecular weight of 434.59 g/mol, XLogP of 8.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2E)-2-[7a-methyl-1-[(E)-6,6,6-trifluoro-5,5-dimethylhex-3-enyl]-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol is sourced from PubChem (CID 143095761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).