Propanoic acid,decyl ester

ScientificNameLabel

Propanoic acid,decyl ester
PHCD compound ID :	1349
Chemical Names :	Propanoic acid,decyl ester
Molecular Formula :	C13H26O2
Molecular Weight :	214.19328

More Details :

Names & Synonyms:	decyl propanoate , propanoic acid decyl ester , propionic acid decyl ester
Smiles:	CCCCCCCCCCOC(=O)CC
InChi :	InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h3-12H2,1-2H3
InChi Key :	InChIKey=HUOYUOXEIKDMFT-UHFFFAOYSA-N
PubChem ID :	229385

Rotatable bond count :	11	Rule of five :	2
Hydrogen bond acceptor count :	2	Ionization potential :	10.700854
Hydrogen bond donor count :	0	Electric dipole moment :	2.020
XLogP :	5.258	VDW volume :	248.348254
Molecular weight :	214.19328	HOMO-LUMO gap :	11.906000

Herb list :

Rice - Oryza sativa - برنج

Refrences & Litretures:


145. Journal:'Journal of Essential Oil Bearing Plants' Year:'2012' Volume:'15' Page:'645' DOI:'10.1080/0972060X.2012.10644099' Title:'The Frist Research on The Essential Oil of Iranian Rice (Oryza sativa L.)'

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