4-[(5Z)-3-(cyclohexen-1-yl)-4-ethyl-7-[(2-methylpropan-2-yl)oxy]octa-5,7-dienyl]-5-methylcyclohexene

C27H44O — CID 89304784

IUPAC4-[(5Z)-3-(cyclohexen-1-yl)-4-ethyl-7-[(2-methylpropan-2-yl)oxy]octa-5,7-dienyl]-5-methylcyclohexene
SMILESC=C(/C=C\C(CC)C(CCC1CC=CCC1C)C1=CCCCC1)OC(C)(C)C
InChIInChI=1S/C27H44O/c1-7-23(18-17-22(3)28-27(4,5)6)26(25-15-9-8-10-16-25)20-19-24-14-12-11-13-21(24)2/h11-12,15,17-18,21,23-24,26H,3,7-10,13-14,16,19-20H2,1-2,4-6H3/b18-17-
InChIKeyWWCKLBOVBQEMJD-ZCXUNETKSA-N
MW384.65 g/mol
LogP8.40
Rot. Bonds9

About 4-[(5Z)-3-(cyclohexen-1-yl)-4-ethyl-7-[(2-methylpropan-2-yl)oxy]octa-5,7-dienyl]-5-methylcyclohexene

4-[(5Z)-3-(cyclohexen-1-yl)-4-ethyl-7-[(2-methylpropan-2-yl)oxy]octa-5,7-dienyl]-5-methylcyclohexene (PubChem CID 89304784) has the molecular formula C27H44O and a molecular weight of 384.65 g/mol. Its IUPAC name is 4-[(5Z)-3-(cyclohexen-1-yl)-4-ethyl-7-[(2-methylpropan-2-yl)oxy]octa-5,7-dienyl]-5-methylcyclohexene.

Molecular Properties

Compound Name4-[(5Z)-3-(cyclohexen-1-yl)-4-ethyl-7-[(2-methylpropan-2-yl)oxy]octa-5,7-dienyl]-5-methylcyclohexene
PubChem CID89304784
Molecular FormulaC27H44O
Molecular Weight384.65 g/mol
Exact Mass384.34
IUPAC Name4-[(5Z)-3-(cyclohexen-1-yl)-4-ethyl-7-[(2-methylpropan-2-yl)oxy]octa-5,7-dienyl]-5-methylcyclohexene
SMILESC=C(/C=C\C(CC)C(CCC1CC=CCC1C)C1=CCCCC1)OC(C)(C)C
InChIInChI=1S/C27H44O/c1-7-23(18-17-22(3)28-27(4,5)6)26(25-15-9-8-10-16-25)20-19-24-14-12-11-13-21(24)2/h11-12,15,17-18,21,23-24,26H,3,7-10,13-14,16,19-20H2,1-2,4-6H3/b18-17-
InChIKeyWWCKLBOVBQEMJD-ZCXUNETKSA-N
XLogP8.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-[(5Z)-3-(cyclohexen-1-yl)-4-ethyl-7-[(2-methylpropan-2-yl)oxy]octa-5,7-dienyl]-5-methylcyclohexene 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

CID 57068014
CID 57068014
CID 71103025
CID 71103025
CID 138534900
CID 138534900
CID 141857439
CID 141857439
CID 143286455
CID 143286455
CID 143286462
CID 143286462
CID 143772418
CID 143772418
CID 143772892
CID 143772892
CID 144590433
CID 144590433
CID 145158801
CID 145158801
CID 145673119
CID 145673119
CID 145694597
CID 145694597

Frequently Asked Questions

What is the IUPAC name of 4-[(5Z)-3-(cyclohexen-1-yl)-4-ethyl-7-[(2-methylpropan-2-yl)oxy]octa-5,7-dienyl]-5-methylcyclohexene?
The IUPAC name of 4-[(5Z)-3-(cyclohexen-1-yl)-4-ethyl-7-[(2-methylpropan-2-yl)oxy]octa-5,7-dienyl]-5-methylcyclohexene (CID 89304784) is 4-[(5Z)-3-(cyclohexen-1-yl)-4-ethyl-7-[(2-methylpropan-2-yl)oxy]octa-5,7-dienyl]-5-methylcyclohexene.
What is the SMILES notation for 4-[(5Z)-3-(cyclohexen-1-yl)-4-ethyl-7-[(2-methylpropan-2-yl)oxy]octa-5,7-dienyl]-5-methylcyclohexene?
The canonical SMILES for 4-[(5Z)-3-(cyclohexen-1-yl)-4-ethyl-7-[(2-methylpropan-2-yl)oxy]octa-5,7-dienyl]-5-methylcyclohexene is C=C(/C=C\C(CC)C(CCC1CC=CCC1C)C1=CCCCC1)OC(C)(C)C.
What is the InChIKey of 4-[(5Z)-3-(cyclohexen-1-yl)-4-ethyl-7-[(2-methylpropan-2-yl)oxy]octa-5,7-dienyl]-5-methylcyclohexene?
The InChIKey is WWCKLBOVBQEMJD-ZCXUNETKSA-N. The full InChI is InChI=1S/C27H44O/c1-7-23(18-17-22(3)28-27(4,5)6)26(25-15-9-8-10-16-25)20-19-24-14-12-11-13-21(24)2/h11-12,15,17-18,21,23-24,26H,3,7-10,13-14,16,19-20H2,1-2,4-6H3/b18-17-.
What are the key properties of 4-[(5Z)-3-(cyclohexen-1-yl)-4-ethyl-7-[(2-methylpropan-2-yl)oxy]octa-5,7-dienyl]-5-methylcyclohexene?
4-[(5Z)-3-(cyclohexen-1-yl)-4-ethyl-7-[(2-methylpropan-2-yl)oxy]octa-5,7-dienyl]-5-methylcyclohexene has a molecular weight of 384.65 g/mol, XLogP of 8.40, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5Z)-3-(cyclohexen-1-yl)-4-ethyl-7-[(2-methylpropan-2-yl)oxy]octa-5,7-dienyl]-5-methylcyclohexene is sourced from PubChem (CID 89304784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).