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ScientificNameLabel
isopropyl 2-methylbutyrate
PHCD compound ID : 2284
Chemical Names :
Isopropyl 2-methylbutanoate , isopropyl 2-methylbutyrate , isopropyl 2-methyl butyrate
Molecular Formula : C8H16O2
Molecular Weight : 144.11503
More Details :
Names & Synonyms: isopropyl 2-methylbutanoate , 2-methylbutanoic acid propan-2-yl ester , propan-2-yl 2-methylbutanoate , 2-methylbutyric acid isopropyl ester
Smiles: CC[C@@H](C(=O)OC(C)C)C
InChi : InChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3/t7-/m0/s1
InChi Key : InChIKey=DIRDKDDFAMNBNY-ZETCQYMHSA-N
PubChem ID : 522214
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.446315
Hydrogen bond donor count : 0 Electric dipole moment : 1.959
XLogP : 2.239 VDW volume : 161.86833
Molecular weight : 144.11503 HOMO-LUMO gap : 11.764000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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'
650.      Journal:'Span J Agric Res'      Year:'2014'      Volume:'12'      Page:'1166'      DOI:'10.5424/sjar/2014124-6527'      Title:'Chemical composition and bio-pesticidal values of essential oil isolated from the seed of Heracleum persicum Desf. ex Fischer (Apiaceae)'
651.      Journal:'Bioscience Research'      Year:'2005'      Volume:'2'      Page:'107'      DOI:''      Title:'Cytotoxicity and chemical constituents of the volatile oil of golpar (heracleum persicum desf. Ex Fischer)'
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