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ScientificNameLabel
Isopulegone, 4-methyl
PHCD compound ID : 1927
Chemical Names :
Isopulegone, 4-methyl
Molecular Formula : C11H18O1
Molecular Weight : 166.135765
More Details :
Names & Synonyms: 2-isopropenyl-2,5-dimethyl-cyclohexanone , 2,5-dimethyl-2-(1-methylethenyl)-1-cyclohexanone , 2,5-dimethyl-2-prop-1-en-2-ylcyclohexan-1-one , 2,5-dimethyl-2-prop-1-en-2-yl-cyclohexan-1-one
Smiles: C[C@H]1CC[C@@](C(=O)C1)(C)C(=C)C
InChi : InChI=1S/C11H18O/c1-8(2)11(4)6-5-9(3)7-10(11)12/h9H,1,5-7H2,2-4H3/t9-,11-/m0/s1
InChi Key : InChIKey=MIZDPYBNDZVDLH-ONGXEEELSA-N
PubChem ID : 579671
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.680646
Hydrogen bond donor count : 0 Electric dipole moment : 3.644
XLogP : 2.806 VDW volume : 189.97314
Molecular weight : 166.135765 HOMO-LUMO gap : 10.672000
Herb list :
Refrences & Litretures:
  
228.      Journal:'Food Research International'      Year:'2012'      Volume:'45'      Page:'313'      DOI:'10.1016/j.foodres.2011.09.004'      Title:'Evaluation of the chemical composition and antimicrobial activity of Mentha pulegium, Juniperus phoenicea, and Cyperus longus essential oils from Morocco'
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