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ScientificNameLabel
ethyl isovalerate
PHCD compound ID : 2287
Chemical Names :
Ethyl 3-methylbutanoate , ethyl isovalerate
Molecular Formula : C7H14O2
Molecular Weight : 130.09938
More Details :
Names & Synonyms: ethyl 3-methylbutanoate , 3-methylbutanoic acid ethyl ester , 3-methylbutyric acid ethyl ester
Smiles: CCOC(=O)CC(C)C
InChi : InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3
InChi Key : InChIKey=PPXUHEORWJQRHJ-UHFFFAOYSA-N
PubChem ID : 7945
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.605156
Hydrogen bond donor count : 0 Electric dipole moment : 2.095
XLogP : 1.994 VDW volume : 144.572346
Molecular weight : 130.09938 HOMO-LUMO gap : 11.828000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
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