Propyl isovalerate

ScientificNameLabel

Propyl isovalerate
PHCD compound ID :	4368
Chemical Names :	Propyl isovalerate
Molecular Formula :	C8H16O2
Molecular Weight :	144.11503

More Details :

Names & Synonyms:	propyl 3-methylbutanoate , 3-methylbutanoic acid propyl ester , 3-methylbutyric acid propyl ester
Smiles:	CCCOC(=O)CC(C)C
InChi :	InChI=1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3
InChi Key :	InChIKey=LSJMDWFAADPNAX-UHFFFAOYSA-N
PubChem ID :	11176

Rotatable bond count :	5	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.597097
Hydrogen bond donor count :	0	Electric dipole moment :	2.031
XLogP :	2.352	VDW volume :	161.86833
Molecular weight :	144.11503	HOMO-LUMO gap :	11.823000

Herb list :

Cow-parsnip - Heracleum persicum - گلپر

Refrences & Litretures:


648. Journal:'Journal of Essential Oil Bearing Plants' Year:'2013' Volume:'16' Page:'841' DOI:'10.1080/0972060X.2013.862078' Title:'Essential Oil Composition of Some Wild Populations of Heracleum persicum Desf. Ex Fischer Growing in Iran'

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