hexadec-9-en-1-ol

• ChemBase ID: 104477
• Molecular Formular: C16H32O
• Molecular Mass: 240.42468
• Monoisotopic Mass: 240.24531564
• SMILES: CCCCCC/C=C/CCCCCCCCO
• Canonical SMILES: CCCCCC/C=C/CCCCCCCCO
• InChI: InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,17H,2-6,9-16H2,1H3
• InChIKey: LBIYNOAMNIKVKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadec-9-en-1-ol
• IUPAC Traditional name: hexadeca-9-en-1-ol
• Synonyms: PALMITOLEYL ALCOHOL

Database IDs

• CAS Number: 10378-01-5
• PubChem SID: 162091054
• PubChem CID: 5283282

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.7782245
• LogD (pH = 7.4): 5.7782245
• Log P: 5.7782245
• Molar Refractivity: 78.4635 cm^3
• Polarizability: 30.628027 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02156051

(cis-9-Hexadecanol)
Purity: 99%