2-methylpent-4-enylidenecyclohexane

C12H20 — CID 14296065

IUPAC2-methylpent-4-enylidenecyclohexane
SMILESC=CCC(C)C=C1CCCCC1
InChIInChI=1S/C12H20/c1-3-7-11(2)10-12-8-5-4-6-9-12/h3,10-11H,1,4-9H2,2H3
InChIKeyKHRHHJGYIUHXMG-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds3

About 2-methylpent-4-enylidenecyclohexane

2-methylpent-4-enylidenecyclohexane (PubChem CID 14296065) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2-methylpent-4-enylidenecyclohexane.

Molecular Properties

Compound Name2-methylpent-4-enylidenecyclohexane
PubChem CID14296065
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2-methylpent-4-enylidenecyclohexane
SMILESC=CCC(C)C=C1CCCCC1
InChIInChI=1S/C12H20/c1-3-7-11(2)10-12-8-5-4-6-9-12/h3,10-11H,1,4-9H2,2H3
InChIKeyKHRHHJGYIUHXMG-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methylpent-4-enylidenecyclohexane 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 2-methylpent-4-enylidenecyclohexane?
The IUPAC name of 2-methylpent-4-enylidenecyclohexane (CID 14296065) is 2-methylpent-4-enylidenecyclohexane.
What is the SMILES notation for 2-methylpent-4-enylidenecyclohexane?
The canonical SMILES for 2-methylpent-4-enylidenecyclohexane is C=CCC(C)C=C1CCCCC1.
What is the InChIKey of 2-methylpent-4-enylidenecyclohexane?
The InChIKey is KHRHHJGYIUHXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-3-7-11(2)10-12-8-5-4-6-9-12/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 2-methylpent-4-enylidenecyclohexane?
2-methylpent-4-enylidenecyclohexane has a molecular weight of 164.29 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-4-enylidenecyclohexane is sourced from PubChem (CID 14296065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).