(7Z)-pentadec-7-en-1-ol

• ChemBase ID: 136886
• Molecular Formular: C15H30O
• Molecular Mass: 226.3981
• Monoisotopic Mass: 226.22966558
• SMILES: CCCCCCC/C=C\CCCCCCO
• Canonical SMILES: CCCCCCC/C=C\CCCCCCO
• InChI: InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h8-9,16H,2-7,10-15H2,1H3/b9-8-
• InChIKey: MFILPHSQVVHCBP-HJWRWDBZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7Z)-pentadec-7-en-1-ol
• IUPAC Traditional name: (7Z)-pentadec-7-en-1-ol
• Synonyms: (Z)-7-TDOL; Z-7-TDOL; cis-7-Tetradecen-1-ol; 顺式-7-十四烯-1-醇

Database IDs

• CAS Number: 40642-43-1
• MDL Number: MFCD00009991
• PubChem SID: 162231153
• PubChem CID: 5369066

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.3336554
• LogD (pH = 7.4): 5.333656
• Log P: 5.333656
• Molar Refractivity: 73.8625 cm^3
• Polarizability: 28.781284 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C14H28O