Methyl glutarate

ScientificNameLabel

Methyl glutarate
PHCD compound ID :	4354
Chemical Names :	Methyl glutarate
Molecular Formula :	C7H12O4
Molecular Weight :	160.073559

More Details :

Names & Synonyms:	dimethyl pentanedioate , pentanedioic acid dimethyl ester , glutaric acid dimethyl ester
Smiles:	COC(=O)CCCC(=O)OC
InChi :	InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3
InChi Key :	InChIKey=XTDYIOOONNVFMA-UHFFFAOYSA-N
PubChem ID :	14242

Rotatable bond count :	6	Rule of five :	0
Hydrogen bond acceptor count :	4	Ionization potential :	10.887500
Hydrogen bond donor count :	0	Electric dipole moment :	3.425
XLogP :	0.29	VDW volume :	159.51634
Molecular weight :	160.073559	HOMO-LUMO gap :	11.880000

Herb list :

Oxtongue flower - Echium amoenum - گل گاو زبان

Refrences & Litretures:


644. Journal:'Int. J. Biosci' Year:'2015' Volume:'6' Page:'156' DOI:'' Title:'Essential oil constituents and fatty acids in Echium amoenum grown wild in Iran'

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