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ScientificNameLabel
4-Methylpent-3-en-2-one
PHCD compound ID : 3796
Chemical Names :
3-Penten-2-one.4-methyl- , 4-Methylpent-3-en-2-one
Molecular Formula : C6H10O1
Molecular Weight : 98.073165
More Details :
Names & Synonyms: 4-methylpent-3-en-2-one , 4-methyl-3-penten-2-one
Smiles: CC(=CC(=O)C)C
InChi : InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
InChi Key : InChIKey=SHOJXDKTYKFBRD-UHFFFAOYSA-N
PubChem ID : 8858
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.859997
Hydrogen bond donor count : 0 Electric dipole moment : 3.042
XLogP : 1.06 VDW volume : 115.849676
Molecular weight : 98.073165 HOMO-LUMO gap : 9.997000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
773.      Journal:'CHEMISTRY & BIODIVERSITY'      Year:'2012'      Volume:'9'      Page:'359'      DOI:'10.1002/cbdv.201100326'      Title:'Determination of the Volatile Fraction of Polygonum bistorta L. at Different Growing Stages and Evaluation of Its Antimicrobial Activity against Two Major Honeybee (Apis mellifera) Pathogens'
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