1-ethenoxy-4-methylcyclohexane

C9H16O — CID 18937479

IUPAC1-ethenoxy-4-methylcyclohexane
SMILESC=COC1CCC(C)CC1
InChIInChI=1S/C9H16O/c1-3-10-9-6-4-8(2)5-7-9/h3,8-9H,1,4-7H2,2H3
InChIKeySHDAZWVCIHXVIR-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds2

About 1-ethenoxy-4-methylcyclohexane

1-ethenoxy-4-methylcyclohexane (PubChem CID 18937479) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-ethenoxy-4-methylcyclohexane.

Molecular Properties

Compound Name1-ethenoxy-4-methylcyclohexane
PubChem CID18937479
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-ethenoxy-4-methylcyclohexane
SMILESC=COC1CCC(C)CC1
InChIInChI=1S/C9H16O/c1-3-10-9-6-4-8(2)5-7-9/h3,8-9H,1,4-7H2,2H3
InChIKeySHDAZWVCIHXVIR-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethenoxy-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

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-4-methylcyclohexane?
The IUPAC name of 1-ethenoxy-4-methylcyclohexane (CID 18937479) is 1-ethenoxy-4-methylcyclohexane.
What is the SMILES notation for 1-ethenoxy-4-methylcyclohexane?
The canonical SMILES for 1-ethenoxy-4-methylcyclohexane is C=COC1CCC(C)CC1.
What is the InChIKey of 1-ethenoxy-4-methylcyclohexane?
The InChIKey is SHDAZWVCIHXVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-10-9-6-4-8(2)5-7-9/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 1-ethenoxy-4-methylcyclohexane?
1-ethenoxy-4-methylcyclohexane has a molecular weight of 140.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-4-methylcyclohexane is sourced from PubChem (CID 18937479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).