[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol

• ChemBase ID: 285834
• Molecular Formular: C10H16O
• Molecular Mass: 152.23344
• Monoisotopic Mass: 152.12011513
• SMILES: C(=C)(C1CC=C(CC1)CO)C
• Canonical SMILES: OCC1=CCC(CC1)C(=C)C
• InChI: InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3
• InChIKey: NDTYTMIUWGWIMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol
• IUPAC Traditional name: (-)-perillylalcohol
• Synonyms: [4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol

Database IDs

• MDL Number: MFCD00001567
• PubChem SID: 180671365
• PubChem CID: 10819

CALCULATED PROPERTIES

• Acid pKa: 16.85657
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9390415
• LogD (pH = 7.4): 1.9390415
• Log P: 1.9390415
• Molar Refractivity: 48.255 cm^3
• Polarizability: 18.574406 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.565

Product Information

• Purity: 95%