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ScientificNameLabel
6-(3,3-Dimethyl-oxiran-2-ylidene)-5,5-dimethyl-hex-3-en-2-one
PHCD compound ID : 3848
Chemical Names :
6-(3,3-Dimethyl-oxiran-2-ylidene)-5,5-dimethyl-hex-3-en-2-one
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: (E,6Z)-6-(3,3-dimethyloxiran-2-ylidene)-5,5-dimethyl-hex-3-en-2-one , (E,6Z)-6-(3,3-dimethyl-2-oxiranylidene)-5,5-dimethyl-3-hexen-2-one , (E,6Z)-6-(3,3-dimethyloxiran-2-ylidene)-5,5-dimethylhex-3-en-2-one
Smiles: CC(=O)/C=C/C(/C=C/1\OC1(C)C)(C)C
InChi : InChI=1S/C12H18O2/c1-9(13)6-7-11(2,3)8-10-12(4,5)14-10/h6-8H,1-5H3/b7-6+,10-8-
InChi Key : InChIKey=SPQMUOHBSSVZJT-QDJLDCPTSA-N
PubChem ID : 5373205
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.521102
Hydrogen bond donor count : 0 Electric dipole moment : 3.436
XLogP : 2.885 VDW volume : 213.422893
Molecular weight : 194.13068 HOMO-LUMO gap : 9.597000
Herb list :
Refrences & Litretures:
  
519.      Journal:'International Journal of Technology Enhancements and Emerging Engineering Research'      Year:'2014'      Volume:'2'      Page:'120'      DOI:''      Title:'Chemical Composition And Antibacterial Activity Of The Essential Oil Isolated From Seinat (Cucumis Melo Var. Tibish) Seeds'
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