(9E,12Z)-tetradeca-9,12-dien-1-ol

• ChemBase ID: 178267
• Molecular Formular: C14H26O
• Molecular Mass: 210.35564
• Monoisotopic Mass: 210.19836545
• SMILES: C(=C\C)\C/C=C/CCCCCCCCO
• Canonical SMILES: OCCCCCCCC/C=C/C/C=C\C
• InChI: InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-3,5-6,15H,4,7-14H2,1H3/b3-2-,6-5+
• InChIKey: IHRPKOQVBCPMQH-NDEAWQBTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9E,12Z)-tetradeca-9,12-dien-1-ol
• IUPAC Traditional name: (9E,12Z)-tetradeca-9,12-dien-1-ol
• Synonyms: (Z,E)-9,12-Tetradecadien-1-ol; (9E,12Z)-9,12-Tetradecadienol

Database IDs

• CAS Number: 51937-00-9
• PubChem SID: 164234177
• PubChem CID: 6436736

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.5271654
• LogD (pH = 7.4): 4.5271654
• Log P: 4.5271654
• Molar Refractivity: 70.3781 cm^3
• Polarizability: 26.701708 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - T291415

The sex pheromone of Plodia interpunctella used as insect attractants.

REFERENCES

• Matsumura, F., et al.: J. Econom. Entomol., 65, 600 (1972)
• Cork, A., et al.: J. Chem. Ecol., 17, 1205 (1972)