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ScientificNameLabel
Carvyl-dihydro-acetate-neoiso
PHCD compound ID : 4625
Chemical Names :
Carvyl-dihydro-acetate-neoiso
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: [(1R,2S,5S)-5-isopropenyl-2-methyl-cyclohexyl] acetate , acetic acid [(1R,2S,5S)-2-methyl-5-(1-methylethenyl)cyclohexyl] ester , [(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate , [(1R,2S,5S)-2-methyl-5-prop-1-en-2-yl-cyclohexyl] ethanoate , acetic acid [(1R,2S,5S)-5-isopropenyl-2-methyl-cyclohexyl] ester
Smiles: CC(=O)O[C@@H]1C[C@H](CC[C@@H]1C)C(=C)C
InChi : InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11-,12+/m0/s1
InChi Key : InChIKey=TUSIZTVSUSBSQI-ZMLRMANQSA-N
PubChem ID : 71587278
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.694214
Hydrogen bond donor count : 0 Electric dipole moment : 2.391
XLogP : 3.135 VDW volume : 216.059352
Molecular weight : 196.14633 HOMO-LUMO gap : 10.910000
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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