(4Z,6E)-4,6-Octadienoic Acid Ethyl Ester - CAS 1173170-10-9

Catalog:	BB058608
Product Name:	(4Z,6E)-4,6-Octadienoic Acid Ethyl Ester
CAS:	1173170-10-9
Synonyms:	Ethyl (4Z,6E)-octa-4,6-dienoate

Technical Data

IUPAC Name:	ethyl (4Z,6E)-octa-4,6-dienoate
Description:	(4Z,6E)-4,6-Octadienoic Acid Ethyl Ester is an intermediate in the synthesis of Spilanthol (S681850), a fatty acid amide isolated from Acmella oleracea.
Molecular Weight:	168.23
Molecular Formula:	C10H16O2
Canonical SMILES:	CCOC(=O)CCC=CC=CC
InChI:	InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3,5-7H,4,8-9H2,1-2H3/b5-3+,7-6-
InChI Key:	NBDKAHGXLWPFNI-WZWXSLMZSA-N
Solubility:	Chloroform, DCM, Methanol
Appearance:	Yellow Oil
References:	Khadir, H., et al. Pestic. Sci., 25, 329 (1989); Cech, N., et al. Planta Med., 72, 1372 (2006); Saritha, K., et al. Biol. Plant, 52, 334 (2008),.

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	2
Exact Mass:	168.115029749
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.115029749
Rotatable Bond Count:	6
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4