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8-Acetyl-3.3.7-trimethyl-6-methylidene-bicyclo(5.1.0)octan-2-one
PHCD compound ID : 3744
Chemical Names :
8-Acetyl-3.3.7-trimethyl-6-methylidene-bicyclo(5.1.0)octan-2-one
Molecular Formula : C16H24O2
Molecular Weight : 248.17763
More Details :
Names & Synonyms:
Smiles: CC(=C1CCC(C(=O)[C@H]2[C@@]1(C)[C@@H]2C(=O)C)(C)C)C
InChi : InChI=1S/C16H24O2/c1-9(2)11-7-8-15(4,5)14(18)13-12(10(3)17)16(11,13)6/h12-13H,7-8H2,1-6H3/t12-,13+,16-/m1/s1
InChi Key : InChIKey=GADIPSMYZPABRL-DVOMOZLQSA-N
PubChem ID :
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.242998
Hydrogen bond donor count : 0 Electric dipole moment : 3.553
XLogP : 1.777 VDW volume : 270.250373
Molecular weight : 248.17763 HOMO-LUMO gap : 9.936000
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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