1-methyl-4-[2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentan-2-yl]cyclohexene

C20H34 — CID 163420288

IUPAC1-methyl-4-[2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentan-2-yl]cyclohexene
SMILESCC1=CCC(C(C)CC(C)(C)C2CC=C(C)CC2)CC1
InChIInChI=1S/C20H34/c1-15-6-10-18(11-7-15)17(3)14-20(4,5)19-12-8-16(2)9-13-19/h6,8,17-19H,7,9-14H2,1-5H3
InChIKeyAHWSBYUPIDJISG-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.53
Rot. Bonds4

About 1-methyl-4-[2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentan-2-yl]cyclohexene

1-methyl-4-[2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentan-2-yl]cyclohexene (PubChem CID 163420288) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 1-methyl-4-[2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentan-2-yl]cyclohexene.

Molecular Properties

Compound Name1-methyl-4-[2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentan-2-yl]cyclohexene
PubChem CID163420288
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name1-methyl-4-[2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentan-2-yl]cyclohexene
SMILESCC1=CCC(C(C)CC(C)(C)C2CC=C(C)CC2)CC1
InChIInChI=1S/C20H34/c1-15-6-10-18(11-7-15)17(3)14-20(4,5)19-12-8-16(2)9-13-19/h6,8,17-19H,7,9-14H2,1-5H3
InChIKeyAHWSBYUPIDJISG-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentan-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 1-methyl-4-[2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentan-2-yl]cyclohexene?
The IUPAC name of 1-methyl-4-[2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentan-2-yl]cyclohexene (CID 163420288) is 1-methyl-4-[2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentan-2-yl]cyclohexene.
What is the SMILES notation for 1-methyl-4-[2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentan-2-yl]cyclohexene?
The canonical SMILES for 1-methyl-4-[2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentan-2-yl]cyclohexene is CC1=CCC(C(C)CC(C)(C)C2CC=C(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentan-2-yl]cyclohexene?
The InChIKey is AHWSBYUPIDJISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-15-6-10-18(11-7-15)17(3)14-20(4,5)19-12-8-16(2)9-13-19/h6,8,17-19H,7,9-14H2,1-5H3.
What are the key properties of 1-methyl-4-[2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentan-2-yl]cyclohexene?
1-methyl-4-[2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentan-2-yl]cyclohexene has a molecular weight of 274.49 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentan-2-yl]cyclohexene is sourced from PubChem (CID 163420288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).