[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methanol

• ChemBase ID: 188421
• Molecular Formular: C14H24O
• Molecular Mass: 208.33976
• Monoisotopic Mass: 208.18271539
• SMILES: C1(=CCC(C(C1)C)CO)CCC=C(C)C
• Canonical SMILES: OCC1CC=C(CC1C)CCC=C(C)C
• InChI: InChI=1S/C14H24O/c1-11(2)5-4-6-13-7-8-14(10-15)12(3)9-13/h5,7,12,14-15H,4,6,8-10H2,1-3H3
• InChIKey: CSMSCQLNNTZLGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methanol
• IUPAC Traditional name: [6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methanol

Database IDs

• PubChem SID: 164244331
• PubChem CID: 5150974

CALCULATED PROPERTIES

• Acid pKa: 18.035608
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4238791
• LogD (pH = 7.4): 3.4238791
• Log P: 3.4238791
• Molar Refractivity: 67.7561 cm^3
• Polarizability: 25.960133 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds