octadeca-6,9,12-trien-1-ol

• ChemBase ID: 155109
• Molecular Formular: C18H32O
• Molecular Mass: 264.44608
• Monoisotopic Mass: 264.24531564
• SMILES: CCCCC/C=C/C/C=C/C/C=C/CCCCCO
• Canonical SMILES: CCCCC/C=C/C/C=C/C/C=C/CCCCCO
• InChI: InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,12-13,19H,2-5,8,11,14-18H2,1H3
• InChIKey: WFYSUQMCIPGKKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadeca-6,9,12-trien-1-ol
• IUPAC Traditional name: octadeca-6,9,12-trien-1-ol
• Synonyms: 6,9,12-Octadecatrienol; γ-Linolenyl alcohol

Database IDs

• CAS Number: 24149-05-1
• MDL Number: MFCD00056665
• PubChem SID: 162249247; 24896354
• PubChem CID: 5363503

CALCULATED PROPERTIES

• Acid pKa: 16.843937
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.943518
• LogD (pH = 7.4): 5.943518
• Log P: 5.943518
• Molar Refractivity: 89.8987 cm^3
• Polarizability: 33.857708 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 13
• 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

Product Information

• Purity: ≥99%
• Empirical Formula (Hill Notation): C18H32O

DETAILS

Sigma Aldrich - L3763

Packaging
Sealed ampule