(4-methylcyclohex-3-en-1-yl)methanol

• ChemBase ID: 308573
• Molecular Formular: C8H14O
• Molecular Mass: 126.19616
• Monoisotopic Mass: 126.10446507
• SMILES: C1=C(CCC(C1)CO)C
• Canonical SMILES: OCC1CCC(=CC1)C
• InChI: InChI=1S/C8H14O/c1-7-2-4-8(6-9)5-3-7/h2,8-9H,3-6H2,1H3
• InChIKey: TXBCFLDVMGKXEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylcyclohex-3-en-1-yl)methanol
• IUPAC Traditional name: (4-methylcyclohex-3-en-1-yl)methanol
• Synonyms: (4-methyl-3-cyclohexen-1-yl)methanol

Database IDs

• CAS Number: 39155-38-9
• MDL Number: MFCD01451643

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4771458
• LogD (pH = 7.4): 1.4771458
• Log P: 1.4771458
• Molar Refractivity: 39.4049 cm^3
• Polarizability: 15.119015 Å^3
• Polar Surface Area: 20.23 Å^2