4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene

C20H36 — CID 153333927

IUPAC4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene
SMILESCC(C)CCC(C)C1=CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C20H36/c1-15(2)5-8-17(4)18-11-13-20(14-12-18)19-9-6-16(3)7-10-19/h11,15-17,19-20H,5-10,12-14H2,1-4H3
InChIKeyZQJLXQPKPNRKNQ-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.61
Rot. Bonds5

About 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene

4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene (PubChem CID 153333927) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene.

Molecular Properties

Compound Name4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene
PubChem CID153333927
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene
SMILESCC(C)CCC(C)C1=CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C20H36/c1-15(2)5-8-17(4)18-11-13-20(14-12-18)19-9-6-16(3)7-10-19/h11,15-17,19-20H,5-10,12-14H2,1-4H3
InChIKeyZQJLXQPKPNRKNQ-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene?
The IUPAC name of 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene (CID 153333927) is 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene.
What is the SMILES notation for 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene?
The canonical SMILES for 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene is CC(C)CCC(C)C1=CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene?
The InChIKey is ZQJLXQPKPNRKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-15(2)5-8-17(4)18-11-13-20(14-12-18)19-9-6-16(3)7-10-19/h11,15-17,19-20H,5-10,12-14H2,1-4H3.
What are the key properties of 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene?
4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene has a molecular weight of 276.51 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene is sourced from PubChem (CID 153333927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).