(5E)-6,10-dimethylundeca-5,9-dien-2-ol

• ChemBase ID: 183234
• Molecular Formular: C13H24O
• Molecular Mass: 196.32906
• Monoisotopic Mass: 196.18271539
• SMILES: C(=C\CCC(O)C)(/CCC=C(C)C)\C
• Canonical SMILES: CC(CC/C=C(/CCC=C(C)C)\C)O
• InChI: InChI=1S/C13H24O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9,13-14H,5-6,8,10H2,1-4H3/b12-9+
• InChIKey: LYFDNQZGOHRKNK-FMIVXFBMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5E)-6,10-dimethylundeca-5,9-dien-2-ol
• IUPAC Traditional name: (5E)-6,10-dimethylundeca-5,9-dien-2-ol

Database IDs

• PubChem SID: 164239144
• PubChem CID: 5370125

CALCULATED PROPERTIES

• Acid pKa: 17.80471
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.652188
• LogD (pH = 7.4): 3.6521883
• Log P: 3.6521883
• Molar Refractivity: 64.9569 cm^3
• Polarizability: 24.854862 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds