isoamyl lactate

ScientificNameLabel

isoamyl lactate
PHCD compound ID :	651
Chemical Names :	isoamyl lactate
Molecular Formula :	C8H16O3
Molecular Weight :	160.109944

More Details :

Names & Synonyms:	isopentyl 2-hydroxypropanoate , 2-hydroxypropanoic acid 3-methylbutyl ester , 3-methylbutyl 2-hydroxypropanoate , 3-methylbutyl 2-oxidanylpropanoate , 2-hydroxypropionic acid isoamyl ester
Smiles:	CC(CCOC(=O)[C@H](O)C)C
InChi :	InChI=1S/C8H16O3/c1-6(2)4-5-11-8(10)7(3)9/h6-7,9H,4-5H2,1-3H3/t7-/m1/s1
InChi Key :	InChIKey=CRORGGSWAKIXSA-SSDOTTSWSA-N
PubChem ID :	86851

Rotatable bond count :	5	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	10.545696
Hydrogen bond donor count :	1	Electric dipole moment :	2.700
XLogP :	1.588	VDW volume :	170.658557
Molecular weight :	160.109944	HOMO-LUMO gap :	11.424000

Herb list :

Grape, Vine grape - Vitis vinifera - انگور

Refrences & Litretures:


40. Journal:'J. Agric. Food Chem' Year:'2003' Volume:'51' Page:'5408' DOI:'10.1021/jf030087i' Title:'Aroma Composition of Vitis vinifera Cv. Tannat: the Typical Red Wine from Uruguay'

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