(3Z)-3-[(2E)-2-[1-(3,3-difluoropropyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol

C23H34F2O — CID 142841172

IUPAC(3Z)-3-[(2E)-2-[1-(3,3-difluoropropyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
SMILESC=C1/C(=C\C=C2/CCCC3(C)C(CCC(F)F)CCC23C)CCCC1O
InChIInChI=1S/C23H34F2O/c1-16-17(6-4-8-20(16)26)9-10-18-7-5-14-22(2)19(11-12-21(24)25)13-15-23(18,22)3/h9-10,19-21,26H,1,4-8,11-15H2,2-3H3/b17-9-,18-10+
InChIKeyIMPINWWRQYXQFD-BUOZRGFLSA-N
MW364.52 g/mol
LogP6.59
Rot. Bonds4

About (3Z)-3-[(2E)-2-[1-(3,3-difluoropropyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol

(3Z)-3-[(2E)-2-[1-(3,3-difluoropropyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol (PubChem CID 142841172) has the molecular formula C23H34F2O and a molecular weight of 364.52 g/mol. Its IUPAC name is (3Z)-3-[(2E)-2-[1-(3,3-difluoropropyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name(3Z)-3-[(2E)-2-[1-(3,3-difluoropropyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
PubChem CID142841172
Molecular FormulaC23H34F2O
Molecular Weight364.52 g/mol
Exact Mass364.26
IUPAC Name(3Z)-3-[(2E)-2-[1-(3,3-difluoropropyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
SMILESC=C1/C(=C\C=C2/CCCC3(C)C(CCC(F)F)CCC23C)CCCC1O
InChIInChI=1S/C23H34F2O/c1-16-17(6-4-8-20(16)26)9-10-18-7-5-14-22(2)19(11-12-21(24)25)13-15-23(18,22)3/h9-10,19-21,26H,1,4-8,11-15H2,2-3H3/b17-9-,18-10+
InChIKeyIMPINWWRQYXQFD-BUOZRGFLSA-N
XLogP6.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.52
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3Z)-3-[(2E)-2-[1-(3,3-difluoropropyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol with MolForge

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Related Compounds

cis-(1S,3S,5Z)-5-[(2Z)-2-[(1S,3aS,7aS)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 98044057
trans-(1R,3S,5E)-5-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R)-6,7-dihydroxy-6-methylheptan-2-yl]-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 166640076
(3Z)-3-[(2E)-2-[(1R)-7a-methyl-1-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
CID 170043991
(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-[(7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
CID 89078727
(1R,5E)-5-[(2E)-2-[(1R,3aS)-1-but-1-en-2-yl-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-3-ethyl-2-methylidenecyclohexan-1-ol;ethane
CID 144512910
5-[2-[1-(6,6-dimethylheptan-2-yl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
CID 123873101
(3Z)-3-[(2E)-2-[7a-methyl-1-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
CID 170043411
(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-(3-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,2-dimethylheptan-3-one
CID 143259353
trans-(1R,3R)-5-[(2E)-2-[(3aS,7aR)-1-[(2S)-butan-2-yl]-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylcyclohexane-1,3-diol
CID 143234296
2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol
CID 90736483
(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

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2E)-2-[1-(3,3-difluoropropyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol?
The IUPAC name of (3Z)-3-[(2E)-2-[1-(3,3-difluoropropyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol (CID 142841172) is (3Z)-3-[(2E)-2-[1-(3,3-difluoropropyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol.
What is the SMILES notation for (3Z)-3-[(2E)-2-[1-(3,3-difluoropropyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol?
The canonical SMILES for (3Z)-3-[(2E)-2-[1-(3,3-difluoropropyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol is C=C1/C(=C\C=C2/CCCC3(C)C(CCC(F)F)CCC23C)CCCC1O.
What is the InChIKey of (3Z)-3-[(2E)-2-[1-(3,3-difluoropropyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol?
The InChIKey is IMPINWWRQYXQFD-BUOZRGFLSA-N. The full InChI is InChI=1S/C23H34F2O/c1-16-17(6-4-8-20(16)26)9-10-18-7-5-14-22(2)19(11-12-21(24)25)13-15-23(18,22)3/h9-10,19-21,26H,1,4-8,11-15H2,2-3H3/b17-9-,18-10+.
What are the key properties of (3Z)-3-[(2E)-2-[1-(3,3-difluoropropyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol?
(3Z)-3-[(2E)-2-[1-(3,3-difluoropropyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol has a molecular weight of 364.52 g/mol, XLogP of 6.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2E)-2-[1-(3,3-difluoropropyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol is sourced from PubChem (CID 142841172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).