(4E)-4-ethylidene-1-[1-(4-methoxy-3,4-dimethylcyclopent-2-en-1-yl)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene

C23H38O — CID 59934827

IUPAC(4E)-4-ethylidene-1-[1-(4-methoxy-3,4-dimethylcyclopent-2-en-1-yl)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene
SMILESC/C=C1\CCCC2(C)C1CCC2C(C)CC1C=C(C)C(C)(OC)C1
InChIInChI=1S/C23H38O/c1-7-19-9-8-12-22(4)20(10-11-21(19)22)16(2)13-18-14-17(3)23(5,15-18)24-6/h7,14,16,18,20-21H,8-13,15H2,1-6H3/b19-7+
InChIKeyJVOBNSJNTGMJKL-FBCYGCLPSA-N
MW330.56 g/mol
LogP6.55
Rot. Bonds4

About (4E)-4-ethylidene-1-[1-(4-methoxy-3,4-dimethylcyclopent-2-en-1-yl)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene

(4E)-4-ethylidene-1-[1-(4-methoxy-3,4-dimethylcyclopent-2-en-1-yl)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene (PubChem CID 59934827) has the molecular formula C23H38O and a molecular weight of 330.56 g/mol. Its IUPAC name is (4E)-4-ethylidene-1-[1-(4-methoxy-3,4-dimethylcyclopent-2-en-1-yl)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene.

Molecular Properties

Compound Name(4E)-4-ethylidene-1-[1-(4-methoxy-3,4-dimethylcyclopent-2-en-1-yl)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene
PubChem CID59934827
Molecular FormulaC23H38O
Molecular Weight330.56 g/mol
Exact Mass330.29
IUPAC Name(4E)-4-ethylidene-1-[1-(4-methoxy-3,4-dimethylcyclopent-2-en-1-yl)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene
SMILESC/C=C1\CCCC2(C)C1CCC2C(C)CC1C=C(C)C(C)(OC)C1
InChIInChI=1S/C23H38O/c1-7-19-9-8-12-22(4)20(10-11-21(19)22)16(2)13-18-14-17(3)23(5,15-18)24-6/h7,14,16,18,20-21H,8-13,15H2,1-6H3/b19-7+
InChIKeyJVOBNSJNTGMJKL-FBCYGCLPSA-N
XLogP6.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E)-4-ethylidene-1-[1-(4-methoxy-3,4-dimethylcyclopent-2-en-1-yl)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene with MolForge

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Launch Full Analysis

Related Compounds

4-ethylidene-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-indene
CID 72511490
[(1R,4R)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-trimethylsilane
CID 70187226
(6R)-6-[(1R,3aS,4E,7aR)-4-ethylidene-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylhept-3-yn-2-ol
CID 149085434
(1R,4S)-4-[(2R)-2-[(1R,7aR)-4-(iodomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-ol
CID 57020646
[(1S,4S)-4-[(2R)-2-[(1R,7aS)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 70187183
(2E)-2-[(1R,3aS,7aR)-1-[(2S)-butan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethanol
CID 59761068
(1R,7aS)-7a-methyl-1-[(2R)-1-[(1S,4S)-4-methyl-4-trimethylsilyloxycyclopent-2-en-1-yl]propan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 70187076
(1R,3aR,4Z,7aR)-4-(bromomethylidene)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 177463192
(4R)-4-[(1R,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]pentanal
CID 54226923
(4E)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-4-propylidene-2,3,3a,5,6,7-hexahydro-1H-indene
CID 142233136
[(2R)-2-[(1R,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl] 4-methylbenzenesulfonate
CID 86752122
5-[(3R)-3-[(1R,7aR)-7a-methyl-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butyl]-3-methoxy-3-methyloxolan-2-one
CID 59934874

Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-1-[1-(4-methoxy-3,4-dimethylcyclopent-2-en-1-yl)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene?
The IUPAC name of (4E)-4-ethylidene-1-[1-(4-methoxy-3,4-dimethylcyclopent-2-en-1-yl)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene (CID 59934827) is (4E)-4-ethylidene-1-[1-(4-methoxy-3,4-dimethylcyclopent-2-en-1-yl)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene.
What is the SMILES notation for (4E)-4-ethylidene-1-[1-(4-methoxy-3,4-dimethylcyclopent-2-en-1-yl)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene?
The canonical SMILES for (4E)-4-ethylidene-1-[1-(4-methoxy-3,4-dimethylcyclopent-2-en-1-yl)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene is C/C=C1\CCCC2(C)C1CCC2C(C)CC1C=C(C)C(C)(OC)C1.
What is the InChIKey of (4E)-4-ethylidene-1-[1-(4-methoxy-3,4-dimethylcyclopent-2-en-1-yl)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene?
The InChIKey is JVOBNSJNTGMJKL-FBCYGCLPSA-N. The full InChI is InChI=1S/C23H38O/c1-7-19-9-8-12-22(4)20(10-11-21(19)22)16(2)13-18-14-17(3)23(5,15-18)24-6/h7,14,16,18,20-21H,8-13,15H2,1-6H3/b19-7+.
What are the key properties of (4E)-4-ethylidene-1-[1-(4-methoxy-3,4-dimethylcyclopent-2-en-1-yl)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene?
(4E)-4-ethylidene-1-[1-(4-methoxy-3,4-dimethylcyclopent-2-en-1-yl)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene has a molecular weight of 330.56 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-1-[1-(4-methoxy-3,4-dimethylcyclopent-2-en-1-yl)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-indene is sourced from PubChem (CID 59934827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).