(9Z)-hexadec-9-en-1-ol

• ChemBase ID: 130951
• 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/b8-7-
• InChIKey: LBIYNOAMNIKVKF-FPLPWBNLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9Z)-hexadec-9-en-1-ol
• IUPAC Traditional name: (9Z)-hexadec-9-en-1-ol
• Synonyms: cis-9-Hexadecenol; Palmitoleyl alcohol

Database IDs

• CAS Number: 10378-01-5
• EC Number: 233-831-4
• MDL Number: MFCD00056668
• PubChem SID: 24898217; 162225229
• PubChem CID: 5367661

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

Safety Information

• German water hazard class: nwg
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: ≥98% (capillary GC)