1-methoxycyclohex-1-ene

• ChemBase ID: 172928
• Molecular Formular: C7H12O
• Molecular Mass: 112.16958
• Monoisotopic Mass: 112.088815
• SMILES: C1(=CCCCC1)OC
• Canonical SMILES: COC1=CCCCC1
• InChI: InChI=1S/C7H12O/c1-8-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
• InChIKey: HZFQGYWRFABYSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxycyclohex-1-ene
• IUPAC Traditional name: 1-methoxycyclohex-1-ene
• Synonyms: 1-MethoxycyclohexeneDiscontinued See M262395

Database IDs

• CAS Number: 931-57-7
• PubChem SID: 164228838
• PubChem CID: 70264

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5915633
• LogD (pH = 7.4): 1.5915633
• Log P: 1.5915633
• Molar Refractivity: 35.5201 cm^3
• Polarizability: 13.348352 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Colourless Oil