Skip Navigation Links
ScientificNameLabel
Methyl 4-methylpentanoate
PHCD compound ID : 2292
Chemical Names :
Methyl 4-methylpentanoate
Molecular Formula : C7H14O2
Molecular Weight : 130.09938
More Details :
Names & Synonyms: methyl 4-methylpentanoate , 4-methylpentanoic acid methyl ester , 4-methylvaleric acid methyl ester
Smiles: COC(=O)CCC(C)C
InChi : InChI=1S/C7H14O2/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3
InChi Key : InChIKey=KBCOVKHULBZKNY-UHFFFAOYSA-N
PubChem ID : 17008
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.773364
Hydrogen bond donor count : 0 Electric dipole moment : 1.885
XLogP : 2.14 VDW volume : 144.572346
Molecular weight : 130.09938 HOMO-LUMO gap : 11.939000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us