(6Z)-octadec-6-en-1-ol

• ChemBase ID: 132658
• Molecular Formular: C18H36O
• Molecular Mass: 268.47784
• Monoisotopic Mass: 268.27661577
• SMILES: CCCCCCCCCCC/C=C\CCCCCO
• Canonical SMILES: CCCCCCCCCCC/C=C\CCCCCO
• InChI: InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h12-13,19H,2-11,14-18H2,1H3/b13-12-
• InChIKey: TVPWKOCQOFBNML-SEYXRHQNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6Z)-octadec-6-en-1-ol
• IUPAC Traditional name: (6Z)-octadec-6-en-1-ol
• Synonyms: cis-6-Octadecen-1-ol; Petroselinyl alcohol

Database IDs

• CAS Number: 2774-87-0
• MDL Number: MFCD00056664
• PubChem SID: 162226935; 24898208
• PubChem CID: 9856654

CALCULATED PROPERTIES

• Acid pKa: 16.843937
• 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

Physical Property

• Apperance: liquid

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: -20°C

DETAILS

Sigma Aldrich - P1510

包装
Sealed ampule.