3,5,11,15-tetramethylhexadec-1-en-3-ol

• ChemBase ID: 82237
• Molecular Formular: C20H40O
• Molecular Mass: 296.531
• Monoisotopic Mass: 296.3079159
• SMILES: OC(C=C)(CC(CCCCCC(CCCC(C)C)C)C)C
• Canonical SMILES: C=CC(CC(CCCCCC(CCCC(C)C)C)C)(O)C
• InChI: InChI=1S/C20H40O/c1-7-20(6,21)16-19(5)14-10-8-9-13-18(4)15-11-12-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3
• InChIKey: IOLVAUYSSNEWQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5,11,15-tetramethylhexadec-1-en-3-ol
• IUPAC Traditional name: 3,5,11,15-tetramethylhexadec-1-en-3-ol
• Synonyms: 3,5,11,15-tetramethylhexadec-1-en-3-ol

Database IDs

• MDL Number: MFCD01570462
• PubChem SID: 162069356
• PubChem CID: 551282

CALCULATED PROPERTIES

• Acid pKa: 18.578077
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 7.1836596
• LogD (pH = 7.4): 7.1836596
• Log P: 7.1836596
• Molar Refractivity: 95.2618 cm^3
• Polarizability: 38.01528 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false