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ScientificNameLabel
2-methylpentan-3-one
PHCD compound ID : 2808
Chemical Names :
2-methylpentan-3-one
Molecular Formula : C6H12O1
Molecular Weight : 100.088815
More Details :
Names & Synonyms: 2-methylpentan-3-one , 2-methyl-3-pentanone
Smiles: CCC(=O)C(C)C
InChi : InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3
InChi Key : InChIKey=HYTRYEXINDDXJK-UHFFFAOYSA-N
PubChem ID : 11265
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.819955
Hydrogen bond donor count : 0 Electric dipole moment : 2.785
XLogP : 0.984 VDW volume : 118.486134
Molecular weight : 100.088815 HOMO-LUMO gap : 10.835000
Herb list :
Refrences & Litretures:
  
339.      Journal:'J. Agric. Food Chem'      Year:'1978'      Volume:'26'      Page:'1290'      DOI:'10.1021/jf60220a012'      Title:'Volatile components of corn silk (Zea mays L.): possible Heliothis zea (Boddie) attractants'
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