1-ethenyl-4-methylcyclohexane

C9H16 — CID 5012311

IUPAC1-ethenyl-4-methylcyclohexane
SMILESC=CC1CCC(C)CC1
InChIInChI=1S/C9H16/c1-3-9-6-4-8(2)5-7-9/h3,8-9H,1,4-7H2,2H3
InChIKeyLPSKSLRGCHZEDL-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds1

About 1-ethenyl-4-methylcyclohexane

1-ethenyl-4-methylcyclohexane (PubChem CID 5012311) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-ethenyl-4-methylcyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-methylcyclohexane
PubChem CID5012311
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1-ethenyl-4-methylcyclohexane
SMILESC=CC1CCC(C)CC1
InChIInChI=1S/C9H16/c1-3-9-6-4-8(2)5-7-9/h3,8-9H,1,4-7H2,2H3
InChIKeyLPSKSLRGCHZEDL-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethenyl-4-methylcyclohexane 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 99888
CID 99888
CID 12757
CID 12757
CID 75027
CID 75027
CID 14299
CID 14299
CID 70491
CID 70491
CID 518713
CID 518713
CID 518716
CID 518716
CID 518717
CID 518717
CID 5358314
CID 5358314
CID 147603404
CID 147603404
CID 103003
CID 103003
CID 528454
CID 528454

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-methylcyclohexane?
The IUPAC name of 1-ethenyl-4-methylcyclohexane (CID 5012311) is 1-ethenyl-4-methylcyclohexane.
What is the SMILES notation for 1-ethenyl-4-methylcyclohexane?
The canonical SMILES for 1-ethenyl-4-methylcyclohexane is C=CC1CCC(C)CC1.
What is the InChIKey of 1-ethenyl-4-methylcyclohexane?
The InChIKey is LPSKSLRGCHZEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-3-9-6-4-8(2)5-7-9/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 1-ethenyl-4-methylcyclohexane?
1-ethenyl-4-methylcyclohexane has a molecular weight of 124.23 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-methylcyclohexane is sourced from PubChem (CID 5012311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).