Z-3-Dodecenyl E-Crotonate - CAS 104086-73-9

Catalog:	BB066602
Product Name:	Z-3-Dodecenyl E-Crotonate
CAS:	104086-73-9
Synonyms:	(2E)-2-Butenoic Acid (3Z)-3-Dodecenyl Ester; (E,Z)-2-Butenoic Acid 3-dodecenyl Ester; Z-3-Dodecenyl E-2-butenoate; Z-3-Dodecenyl E-Crotonate

Technical Data

IUPAC Name:	[(E)-dodec-3-enyl] (Z)-but-2-enoate
Description:	Z-3-Dodecenyl E-Crotonate can be used to develop insecticides and sex pheromone trap against Sweetpotato weevil.
Molecular Weight:	252.39
Molecular Formula:	C16H28O2
Canonical SMILES:	CCCCCCCCC=CCCOC(=O)C=CC
InChI:	InChI=1S/C16H28O2/c1-3-5-6-7-8-9-10-11-12-13-15-18-16(17)14-4-2/h4,11-12,14H,3,5-10,13,15H2,1-2H3/b12-11+,14-4-
InChI Key:	VPVYOJQBLAZGEP-FJAAXBCVSA-N
References:	Reddy, G. V., et al.: Environ Entomol 43, 767 (2014); McQuate, G. T. Sci Rep 4, 4499 (2014).

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	2
Exact Mass:	252.208930132
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	252.208930132
Rotatable Bond Count:	12
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6