(9Z,12Z)-octadeca-9,12-dien-1-ol

• ChemBase ID: 287150
• Molecular Formular: C18H34O
• Molecular Mass: 266.46196
• Monoisotopic Mass: 266.26096571
• SMILES: CCCCC/C=C\C/C=C\CCCCCCCCO
• Canonical SMILES: CCCCC/C=C\C/C=C\CCCCCCCCO
• InChI: InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3/b7-6-,10-9-
• InChIKey: JXNPEDYJTDQORS-HZJYTTRNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9Z,12Z)-octadeca-9,12-dien-1-ol
• IUPAC Traditional name: linoleyl alcohol
• Synonyms: (9Z,12Z)-Octadeca-9,12-dien-1-ol

Database IDs

• CAS Number: 506-43-4
• MDL Number: MFCD00056667
• PubChem SID: 180672681
• PubChem CID: 5365682

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.30544
• LogD (pH = 7.4): 6.30544
• Log P: 6.30544
• Molar Refractivity: 88.7821 cm^3
• Polarizability: 34.089294 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%