3E,8Z-Tetradecadienyl acetate

Catalog Number	ACM163041870-2
CAS	163041-87-0
Structure
IUPAC Name	[(3E,8Z)-tetradeca-3,8-dienyl] acetate
Synonyms	3E,8Z-Tetradecadienyl acetate;163041-87-0;(E,Z)-3,8-Tetradecadienyl acetate;(3E,8Z)-3,8-tetradecadien-1-yl acetate;SCHEMBL1301284;LMFA07010301;ZINC14722259;(3E,8Z)-3,8-tetradecadienyl acetate;[(3E,8Z)-tetradeca-3,8-dienyl] acetate;(3E,8Z)-TETRADECA-3,8-DIEN-1-YL ACETATE;3,8-Tetradecadien-1-ol, acetate, (3E,8Z)- (9CI)
Molecular Weight	252.39g/mol
Molecular Formula	C16H28O2
Canonical SMILES	CCCCCC=CCCCC=CCCOC(=O)C
InChI	InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h7-8,12-13H,3-6,9-11,14-15H2,1-2H3/b8-7-,13-12+
InChI Key	WWXVCCMNRBSSKV-LQZWXTFHSA-N
Application	3E,8Z-Tetradecadienyl Acetate is a sex pheromone of S. absoluta (Lepidoptera:Gelechiidae); Also, it is derived from cis-4-Decen-1-ol (D225630), which is a reactant in the synthesis of epoxyisoprostanes as anti-inflammatory agents.
Complexity	242
Covalently-Bonded Unit Count	1
Exact Mass	252.208930132g/mol
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Monoisotopic Mass	252.208930132g/mol
References	Griepink, F. C., et al.: Tetrahedron Lett., 37, 411-414 (1996); Egger, J., et. al.: Angew. Chem. Int. Edit., 52, 5382 (2013)
Rotatable Bond Count	12
Topological Polar Surface Area	26.3Å²
X Log P3	5.3

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