(11Z)-octadec-11-en-1-ol

• ChemBase ID: 132277
• Molecular Formular: C18H36O
• Molecular Mass: 268.47784
• Monoisotopic Mass: 268.27661577
• SMILES: CCCCCC/C=C\CCCCCCCCCCO
• Canonical SMILES: CCCCCC/C=C\CCCCCCCCCCO
• InChI: InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h7-8,19H,2-6,9-18H2,1H3/b8-7-
• InChIKey: XMLQWXUVTXCDDL-FPLPWBNLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (11Z)-octadec-11-en-1-ol
• IUPAC Traditional name: cis-11-octadecenol
• Synonyms: cis-11-Octadecenol; cis-Vaccenyl alcohol

Database IDs

• CAS Number: 62972-93-4
• MDL Number: MFCD00056646
• PubChem SID: 162226554
• PubChem CID: 11821627

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.6673617
• LogD (pH = 7.4): 6.6673617
• Log P: 6.6673617
• Molar Refractivity: 87.6655 cm^3
• Polarizability: 34.321606 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Storage Temperature: -20°C