3-ethenoxy-1-methylcyclohexene

C9H14O — CID 565399

IUPAC3-ethenoxy-1-methylcyclohexene
SMILESC=COC1C=C(C)CCC1
InChIInChI=1S/C9H14O/c1-3-10-9-6-4-5-8(2)7-9/h3,7,9H,1,4-6H2,2H3
InChIKeyZVWILVYIAGRGDV-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.65
Rot. Bonds2

About 3-ethenoxy-1-methylcyclohexene

3-ethenoxy-1-methylcyclohexene (PubChem CID 565399) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-ethenoxy-1-methylcyclohexene.

Molecular Properties

Compound Name3-ethenoxy-1-methylcyclohexene
PubChem CID565399
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name3-ethenoxy-1-methylcyclohexene
SMILESC=COC1C=C(C)CCC1
InChIInChI=1S/C9H14O/c1-3-10-9-6-4-5-8(2)7-9/h3,7,9H,1,4-6H2,2H3
InChIKeyZVWILVYIAGRGDV-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethenoxy-1-methylcyclohexene 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 3-ethenoxy-1-methylcyclohexene?
The IUPAC name of 3-ethenoxy-1-methylcyclohexene (CID 565399) is 3-ethenoxy-1-methylcyclohexene.
What is the SMILES notation for 3-ethenoxy-1-methylcyclohexene?
The canonical SMILES for 3-ethenoxy-1-methylcyclohexene is C=COC1C=C(C)CCC1.
What is the InChIKey of 3-ethenoxy-1-methylcyclohexene?
The InChIKey is ZVWILVYIAGRGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-10-9-6-4-5-8(2)7-9/h3,7,9H,1,4-6H2,2H3.
What are the key properties of 3-ethenoxy-1-methylcyclohexene?
3-ethenoxy-1-methylcyclohexene has a molecular weight of 138.21 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-1-methylcyclohexene is sourced from PubChem (CID 565399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).