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ScientificNameLabel
Carvyl-acetate-E
PHCD compound ID : 4626
Chemical Names :
Carvyl-acetate-E
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: [(1S,5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-yl] acetate , acetic acid [(1S,5R)-2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enyl] ester , [(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate , [(1S,5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-yl] ethanoate , acetic acid [(1S,5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-yl] ester
Smiles: CC(=O)O[C@H]1C[C@@H](CC=C1C)C(=C)C
InChi : InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3/t11-,12+/m1/s1
InChi Key : InChIKey=YTHRBOFHFYZBRJ-NEPJUHHUSA-N
PubChem ID : 81505
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.555921
Hydrogen bond donor count : 0 Electric dipole moment : 2.487
XLogP : 2.439 VDW volume : 213.422893
Molecular weight : 194.13068 HOMO-LUMO gap : 10.298000
Herb list :
Refrences & Litretures:
  
716.      Journal:'Int. J. Electrochem. Sci'      Year:'2011'      Volume:'6'      Page:'691'      DOI:''      Title:'Chemical Composition and Inhibitory Effect of Mentha Spicata Essential Oil on the Corrosion of Steel in Molar Hydrochloric Acid'
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