(11E)-hexadec-11-en-1-ol

• ChemBase ID: 53053
• Molecular Formular: C16H32O
• Molecular Mass: 240.42468
• Monoisotopic Mass: 240.24531564
• SMILES: C(CCCCCCCCC/C=C/CCCC)O
• Canonical SMILES: CCCC/C=C/CCCCCCCCCCO
• InChI: InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,17H,2-4,7-16H2,1H3/b6-5+
• InChIKey: RHVMNRHQWXIJIS-AATRIKPKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (11E)-hexadec-11-en-1-ol
• IUPAC Traditional name: 11-hexadecen-1-ol (Z)
• Synonyms: (E)-11-Hexadecenol; (E)-hexadec-11-en-1-ol; (E)-11-十六碳烯-1-醇

Database IDs

• CAS Number: 61301-56-2
• MDL Number: MFCD00451150
• PubChem SID: 162057816
• PubChem CID: 5352278

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.7782245
• LogD (pH = 7.4): 5.7782245
• Log P: 5.7782245
• Molar Refractivity: 78.4635 cm^3
• Polarizability: 30.628027 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%