(7Z,11Z)-heptacosa-7,11-diene

• ChemBase ID: 169857
• Molecular Formular: C27H52
• Molecular Mass: 376.70178
• Monoisotopic Mass: 376.40690166
• SMILES: C(=C\CCCCCC)\CC/C=C\CCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCC/C=C\CC/C=C\CCCCCC
• InChI: InChI=1S/C27H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,21,23H,3-12,14,16-20,22,24-27H2,1-2H3/b15-13-,23-21-
• InChIKey: RJYQFYALHBHYMG-ADYYPQGGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7Z,11Z)-heptacosa-7,11-diene
• IUPAC Traditional name: (7Z,11Z)-heptacosa-7,11-diene
• Synonyms: (Z,Z)-7,11-Heptacosadiene

Database IDs

• CAS Number: 100462-58-6
• PubChem SID: 162263989
• PubChem CID: 14464905

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 11.743237
• LogD (pH = 7.4): 11.743237
• Log P: 11.743237
• Molar Refractivity: 128.2624 cm^3
• Polarizability: 50.15789 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 22
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - H268500

The major sex pheromone of Drosophila melanogaster.

REFERENCES

• Grillet, M., et al.: Proc. Biol. Sci., 273, 315 (2006)
• Kurtovic, A., et al.: Nature, 446, 542 (2006)
• Krupp, J., et al.: Curr. Biol., 18, 1373 (2006)