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(3E,8Z,11Z)-Tetradeca-3,8,11-trienyl acetate

Catalog Number ACM163041949-1
CAS 163041-94-9
Structure {[CurrentData.Name]}
IUPAC Name [(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] acetate
Synonyms 163041-94-9;(3E,8Z,11Z)-Tetradeca-3,8,11-trienyl acetate;UNII-6CQR9SPA87;6CQR9SPA87;(3E,8Z,11Z)-3,8,11-tetradecatrien-1-yl acetate;[(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] Acetate;Tetradeca-3,8,11-trienyl acetate, (3E,8Z,11Z)-;3E,8Z,11Z-Tetradecatrienyl acetate;(3E,8Z,11Z)-Tetradeca-3,8,11-trien-1-yl acetate;3,8,11-Tetradecatrien-1-ol, 1-acetate, (3E,8Z,11Z)-;(E,Z,Z)-3,8,11-Tetradecatrien-1-ol acetate;SCHEMBL1301147;DTXSID50700624;LMFA07010306;MFCD22581574;ZINC59725211;(E,Z,Z)-3,8,11-Tetradecatrienyl acetate;(3E,8Z,11Z)-3,8,11-Tetradecatrien-1-ol, acetate;Q27264506
Molecular Weight 250.38g/mol
Molecular Formula C16H26O2
Canonical SMILES CCC=CCC=CCCCC=CCCOC(=O)C
InChI InChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5,7-8,12-13H,3,6,9-11,14-15H2,1-2H3/b5-4-,8-7-,13-12+
InChI Key HWPJPNQEVWTZSJ-XBZOLNABSA-N
Application (3E,8Z,11Z)-Tetradeca-3,8,11-trienyl Acetate is a compound found in the pheromones. It is a major sex pheromone component of the tomato pest.
Complexity 275
Covalently-Bonded Unit Count 1
Exact Mass 250.193280068g/mol
Heavy Atom Count 18
Hydrogen Bond Acceptor Count 2
Monoisotopic Mass 250.193280068g/mol
References Attygalle, A., et al.: Bioorg. Med. Chem., 4, 305 (1996); Hungerford, N., Kitching, W.: J. Chem. Soc., Perkin Trans. 1, 1839 (1998);
Rotatable Bond Count 11
Topological Polar Surface Area 26.3Ų
UNII 6CQR9SPA87
X Log P3 4.6
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