henicosan-11-ol

• ChemBase ID: 301977
• Molecular Formular: C21H44O
• Molecular Mass: 312.57346
• Monoisotopic Mass: 312.33921603
• SMILES: CCCCCCCCCCC(CCCCCCCCCC)O
• Canonical SMILES: CCCCCCCCCCC(CCCCCCCCCC)O
• InChI: InChI=1S/C21H44O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3
• InChIKey: BCNCKKYOXRHQGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: henicosan-11-ol
• IUPAC Traditional name: henicosan-11-ol
• Synonyms: Di-n-decyl carbinol; 11-Heneicosanol; 11-二十一醇

Database IDs

• CAS Number: 3381-26-8
• EC Number: 222-184-3
• MDL Number: MFCD00026547
• Beilstein Number: 1765841

CALCULATED PROPERTIES

• Acid pKa: 18.484173
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 8.41295
• LogD (pH = 7.4): 8.41295
• Log P: 8.41295
• Molar Refractivity: 100.0927 cm^3
• Polarizability: 40.094776 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 71-73°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%