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ScientificNameLabel
pentanoic acid 1-methyl ethyl ester
PHCD compound ID : 4383
Chemical Names :
pentanoic acid 1-methyl ethyl ester
Molecular Formula : C8H16O2
Molecular Weight : 144.11503
More Details :
Names & Synonyms: isopropyl pentanoate , pentanoic acid propan-2-yl ester , propan-2-yl pentanoate , valeric acid isopropyl ester
Smiles: CCCCC(=O)OC(C)C
InChi : InChI=1S/C8H16O2/c1-4-5-6-8(9)10-7(2)3/h7H,4-6H2,1-3H3
InChi Key : InChIKey=OCAIYHCKLADPEG-UHFFFAOYSA-N
PubChem ID : 87598
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.643542
Hydrogen bond donor count : 0 Electric dipole moment : 1.938
XLogP : 2.515 VDW volume : 161.86833
Molecular weight : 144.11503 HOMO-LUMO gap : 11.912000
Herb list :
Refrences & Litretures:
  
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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