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ScientificNameLabel
Isopulegol acetate
PHCD compound ID : 5290
Chemical Names :
Isopulegol acetate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: [(1R,2S,5R)-2-isopropenyl-5-methyl-cyclohexyl] acetate , acetic acid [(1R,2S,5R)-5-methyl-2-(1-methylethenyl)cyclohexyl] ester , [(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl] acetate , [(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl] acetate , [(1R,2S,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexyl] ethanoate , acetic acid [(1R,2S,5R)-2-isopropenyl-5-methyl-cyclohexyl] ester
Smiles: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C)C(=C)C
InChi : InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11+,12-/m1/s1
InChi Key : InChIKey=HLHIVJRLODSUCI-ADEWGFFLSA-N
PubChem ID : 94579
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.699565
Hydrogen bond donor count : 0 Electric dipole moment : 2.713
XLogP : 3.135 VDW volume : 216.059352
Molecular weight : 196.14633 HOMO-LUMO gap : 10.904000
Herb list :
Refrences & Litretures:
  
847.      Journal:'ORIENTAL JOURNAL OF CHEMISTRY'      Year:'2016'      Volume:'32'      Page:'331'      DOI:'10.13005/ojc/320137'      Title:'A Comparative Study of the Chemical Composition of the Essential oil from Eucalyptus globulus Growing in Dehradun (india) and Around the World'
849.      Journal:'Biological Forum – An International Journal'      Year:'2015'      Volume:'7'      Page:'322'      DOI:''      Title:'Chemical Composition of Eucalyptus globulus grown in Iran'
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