(5E,9Z)-6,10,14-trimethylpentadeca-5,9,13-trien-2-ol

• ChemBase ID: 183054
• Molecular Formular: C18H32O
• Molecular Mass: 264.44608
• Monoisotopic Mass: 264.24531564
• SMILES: C(=C\CC/C(=C/CCC(O)C)/C)(\CCC=C(C)C)/C
• Canonical SMILES: CC(CC/C=C(/CC/C=C(\CCC=C(C)C)/C)\C)O
• InChI: InChI=1S/C18H32O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13,18-19H,6-8,10,12,14H2,1-5H3/b16-11-,17-13+
• InChIKey: OGVFFFGVTCQEQX-HSVQFRAPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5E,9Z)-6,10,14-trimethylpentadeca-5,9,13-trien-2-ol
• IUPAC Traditional name: (5E,9Z)-6,10,14-trimethylpentadeca-5,9,13-trien-2-ol

Database IDs

• PubChem SID: 164238964
• PubChem CID: 16395603

CALCULATED PROPERTIES

• Acid pKa: 17.80471
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.3119025
• LogD (pH = 7.4): 5.3119025
• Log P: 5.3119025
• Molar Refractivity: 88.7595 cm^3
• Polarizability: 33.857708 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds