(3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-1,5-dimethyl-4-methylidenecyclohexan-1-ol

C24H38O — CID 142023428

IUPAC(3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-1,5-dimethyl-4-methylidenecyclohexan-1-ol
SMILESC=C1/C(=C\C=C2/CCCC3(C)C2CCC3C(C)C)CC(C)(O)CC1C
InChIInChI=1S/C24H38O/c1-16(2)21-11-12-22-19(8-7-13-24(21,22)6)9-10-20-15-23(5,25)14-17(3)18(20)4/h9-10,16-17,21-22,25H,4,7-8,11-15H2,1-3,5-6H3/b19-9+,20-10-
InChIKeyYCRIBWBHAVLOFD-ZERQYDHYSA-N
MW342.57 g/mol
LogP6.45
Rot. Bonds2

About (3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-1,5-dimethyl-4-methylidenecyclohexan-1-ol

(3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-1,5-dimethyl-4-methylidenecyclohexan-1-ol (PubChem CID 142023428) has the molecular formula C24H38O and a molecular weight of 342.57 g/mol. Its IUPAC name is (3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-1,5-dimethyl-4-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name(3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-1,5-dimethyl-4-methylidenecyclohexan-1-ol
PubChem CID142023428
Molecular FormulaC24H38O
Molecular Weight342.57 g/mol
Exact Mass342.29
IUPAC Name(3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-1,5-dimethyl-4-methylidenecyclohexan-1-ol
SMILESC=C1/C(=C\C=C2/CCCC3(C)C2CCC3C(C)C)CC(C)(O)CC1C
InChIInChI=1S/C24H38O/c1-16(2)21-11-12-22-19(8-7-13-24(21,22)6)9-10-20-15-23(5,25)14-17(3)18(20)4/h9-10,16-17,21-22,25H,4,7-8,11-15H2,1-3,5-6H3/b19-9+,20-10-
InChIKeyYCRIBWBHAVLOFD-ZERQYDHYSA-N
XLogP6.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-1,5-dimethyl-4-methylidenecyclohexan-1-ol with MolForge

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Related Compounds

(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
trans-(1R,3R)-5-[2-[(7aR)-1-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1-methyl-4-methylidenecyclohexane-1,3-diol
CID 90894159
(1S)-1-[(1S,3aS,4E,7aS)-7a-methyl-4-[(2E)-2-[(5S)-5-methyl-2-methylidenecyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol
CID 122493185
(5E)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2,3-dimethyl-4-methylidenecyclohexane-1,1-diol
CID 143507070
(3R,5Z)-5-[2-[(1R,7aR)-1-[(2R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,1,3-triol
CID 88818597
trans-(1S,3Z,5S)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-4-methylidenecyclohexan-1-ol;bis(yttrium)
CID 59087067
(3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]cyclohexan-1-ol
CID 143431459
trans-(1S,3Z,5S)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-4-methylidenecyclohexan-1-ol
CID 58723205
trans-(1S,3Z,5S)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2S)-6-ethyl-6-hydroxyoct-4-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-4-methylidenecyclohexan-1-ol
CID 153489125
2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol
CID 90736483
(6Z,8R)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-7-methylidene-2-oxaspiro[3.5]nonan-8-ol
CID 102128946
[(1R,3Z,5S)-3-[2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-acetyloxy-5-hydroxy-2-methylidenecyclohexyl] acetate
CID 88818549

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-1,5-dimethyl-4-methylidenecyclohexan-1-ol?
The IUPAC name of (3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-1,5-dimethyl-4-methylidenecyclohexan-1-ol (CID 142023428) is (3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-1,5-dimethyl-4-methylidenecyclohexan-1-ol.
What is the SMILES notation for (3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-1,5-dimethyl-4-methylidenecyclohexan-1-ol?
The canonical SMILES for (3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-1,5-dimethyl-4-methylidenecyclohexan-1-ol is C=C1/C(=C\C=C2/CCCC3(C)C2CCC3C(C)C)CC(C)(O)CC1C.
What is the InChIKey of (3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-1,5-dimethyl-4-methylidenecyclohexan-1-ol?
The InChIKey is YCRIBWBHAVLOFD-ZERQYDHYSA-N. The full InChI is InChI=1S/C24H38O/c1-16(2)21-11-12-22-19(8-7-13-24(21,22)6)9-10-20-15-23(5,25)14-17(3)18(20)4/h9-10,16-17,21-22,25H,4,7-8,11-15H2,1-3,5-6H3/b19-9+,20-10-.
What are the key properties of (3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-1,5-dimethyl-4-methylidenecyclohexan-1-ol?
(3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-1,5-dimethyl-4-methylidenecyclohexan-1-ol has a molecular weight of 342.57 g/mol, XLogP of 6.45, 2 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-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-1,5-dimethyl-4-methylidenecyclohexan-1-ol is sourced from PubChem (CID 142023428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).