Methyl trans-10-Octadecenoate - CAS 13038-45-4

Catalog:	BB075909
Product Name:	Methyl trans-10-Octadecenoate
CAS:	13038-45-4
Synonyms:	methyl (E)-octadec-10-enoate; (E)-10-Octadecenoic acid methyl ester; METHYL 10-OCTADECENOATE; 10-Octadecenoic acid methyl ester; 10-Octadecenoic acid, methyl ester, (E)-; Methyl trans-10-octadecenoate

Technical Data

IUPAC Name:	methyl (E)-octadec-10-enoate
Description:	Methyl trans-10-Octadecenoate is an intermediate in the synthesis of (10E)-10-Octadecenoic acid (O235250). (10E)-10-Octadecenoic acid is a fatty acid found in cow milk.
Molecular Weight:	296.5
Molecular Formula:	C19H36O2
Canonical SMILES:	CCCCCCCC=CCCCCCCCCC(=O)OC
InChI:	InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h9-10H,3-8,11-18H2,1-2H3/b10-9+
InChI Key:	HHZIOLLKZWLCOX-MDZDMXLPSA-N
Solubility:	Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Appearance:	Colourless Oil
Storage:	4°C, Inert atmosphere
References:	Yang, Y., et al. Journal of Dairy Science, 102, 2266 (2019)..

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	296.271530387
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	296.271530387
Rotatable Bond Count:	16
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	7.6