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ScientificNameLabel
Isopulegyl acetate
PHCD compound ID : 1863
Chemical Names :
Isopulegyl acetate , Neoiso-isopulegyl Acetate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: (2-isopropenyl-5-methyl-cyclohexyl) acetate , acetic acid [5-methyl-2-(1-methylethenyl)cyclohexyl] ester , (5-methyl-2-prop-1-en-2-ylcyclohexyl) acetate , (5-methyl-2-prop-1-en-2-yl-cyclohexyl) ethanoate , acetic acid (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 : 494311
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.690624
Hydrogen bond donor count : 0 Electric dipole moment : 2.626
XLogP : 3.135 VDW volume : 216.059352
Molecular weight : 196.14633 HOMO-LUMO gap : 10.902000
Herb list :
Refrences & Litretures:
  
219.      Journal:'Intl J Agri Crop Sci'      Year:'2013'      Volume:'5'      Page:'1946'      DOI:''      Title:'Chemical analysis and Identification of the components of two ecotypes of (Mentha Longifolia L. ( in Iran province'
574.      Journal:'Euro. J. Exp. Bio'      Year:'2013'      Volume:'3'      Page:'687'      DOI:''      Title:'Extraction of Ziziphora tenuior essential oil using supercritical CO2'
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