(6E,10E)-tricosa-6,10-dien-1-ol

• ChemBase ID: 63179
• Molecular Formular: C23H44O
• Molecular Mass: 336.59486
• Monoisotopic Mass: 336.33921603
• SMILES: C(C/C=C/CCCCCCCCCCCC)/C=C/CCCCCO
• Canonical SMILES: CCCCCCCCCCCC/C=C/CC/C=C/CCCCCO
• InChI: InChI=1S/C23H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h13-14,17-18,24H,2-12,15-16,19-23H2,1H3/b14-13+,18-17+
• InChIKey: JTSPNZHBRRBWNU-WSPGMDLHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6E,10E)-tricosa-6,10-dien-1-ol
• IUPAC Traditional name: (6E,10E)-tricosa-6,10-dien-1-ol
• Synonyms: 6,10-Tricosadien-1-ol

Database IDs

• CAS Number: 1221819-38-0
• MDL Number: MFCD16039607
• PubChem SID: 162028918
• PubChem CID: 49760560

CALCULATED PROPERTIES

• Acid pKa: 16.843937
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 8.528283
• LogD (pH = 7.4): 8.528283
• Log P: 8.528283
• Molar Refractivity: 111.7871 cm^3
• Polarizability: 43.32405 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%