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ScientificNameLabel
3-(6,6-Dimethyl-5-oxohept-2-enyl)-cyclohexanone
PHCD compound ID : 2584
Chemical Names :
3-(6,6-Dimethyl-5-oxohept-2-enyl)-cyclohexanone
Molecular Formula : C15H24O2
Molecular Weight : 236.17763
More Details :
Names & Synonyms: 3-[(E)-6,6-dimethyl-5-oxo-hept-2-enyl]cyclohexanone , 3-[(E)-6,6-dimethyl-5-oxohept-2-enyl]-1-cyclohexanone , 3-[(E)-6,6-dimethyl-5-oxohept-2-enyl]cyclohexan-1-one , 3-[(E)-6,6-dimethyl-5-oxidanylidene-hept-2-enyl]cyclohexan-1-one , 3-[(E)-5-keto-6,6-dimethyl-hept-2-enyl]cyclohexanone
Smiles: O=C1CCC[C@@H](C1)C/C=C/CC(=O)C(C)(C)C
InChi : InChI=1S/C15H24O2/c1-15(2,3)14(17)10-5-4-7-12-8-6-9-13(16)11-12/h4-5,12H,6-11H2,1-3H3/b5-4+/t12-/m0/s1
InChi Key : InChIKey=VFYSPNFFKAHOOB-ITKZLYELSA-N
PubChem ID : 5364977
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.561270
Hydrogen bond donor count : 0 Electric dipole moment : 3.674
XLogP : 2.515 VDW volume : 265.310847
Molecular weight : 236.17763 HOMO-LUMO gap : 10.267000
Herb list :
Refrences & Litretures:
  
300.      Journal:'Natural Product Research'      Year:'2010'      Volume:'24'      Page:'1704'      DOI:'10.1080/14786410902884933'      Title:'Phytochemical analysis and allelopathic activity of essential oils of Ecballium elaterium A. Richard growing in Iran'
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