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ScientificNameLabel
2.5-Heptadien-4-one.2.6-dimethyl-
PHCD compound ID : 3709
Chemical Names :
2.5-Heptadien-4-one.2.6-dimethyl-
Molecular Formula : C9H14O1
Molecular Weight : 138.104465
More Details :
Names & Synonyms: 2,6-dimethylhepta-2,5-dien-4-one , 2,6-dimethyl-4-hepta-2,5-dienone
Smiles: O=C(C=C(C)C)C=C(C)C
InChi : InChI=1S/C9H14O/c1-7(2)5-9(10)6-8(3)4/h5-6H,1-4H3
InChi Key : InChIKey=MTZWHHIREPJPTG-UHFFFAOYSA-N
PubChem ID : 10438
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.546707
Hydrogen bond donor count : 0 Electric dipole moment : 1.583
XLogP : 1.898 VDW volume : 165.101171
Molecular weight : 138.104465 HOMO-LUMO gap : 9.590000
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'
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