2,5-Octadecadiynoic acid, methyl ester

ScientificNameLabel

2,5-Octadecadiynoic acid, methyl ester
PHCD compound ID :	3903
Chemical Names :	2,5-Octadecadiynoic acid, methyl ester
Molecular Formula :	C19H30O2
Molecular Weight :	290.22458

More Details :

Names & Synonyms:	methyl octadeca-2,5-diynoate , octadeca-2,5-diynoic acid methyl ester
Smiles:	CCCCCCCCCCCCC#CCC#CC(=O)OC
InChi :	InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-13,16H2,1-2H3
InChi Key :	InChIKey=XQDLQQYTXOVDQQ-UHFFFAOYSA-N
PubChem ID :	42151

Rotatable bond count :	11	Rule of five :	2
Hydrogen bond acceptor count :	2	Ionization potential :	10.363795
Hydrogen bond donor count :	0	Electric dipole moment :	3.137
XLogP :	7.955	VDW volume :	341.578326
Molecular weight :	290.22458	HOMO-LUMO gap :	10.425000

Herb list :

Jujube - Ziziphus jujuba - عناب

Refrences & Litretures:


532. Journal:'J PURE APPL MICROBIO' Year:'2013' Volume:'7' Page:'379' DOI:'' Title:'Chemical Composition and Antimicrobial Activity of Ziziphus jujuba Seeds Extract'

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