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ScientificNameLabel
carvyl acetate
PHCD compound ID : 4494
Chemical Names :
2-Cyclohexen-1-ol,2-methyl-5-(1-methylethenyl)-,acetate,(1R-trans)- , carvyl acetate
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: (5-isopropenyl-2-methyl-cyclohex-2-en-1-yl) acetate , acetic acid [2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enyl] ester , (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) acetate , (2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-yl) ethanoate , acetic acid (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-VXGBXAGGSA-N
PubChem ID : 7335
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.458747
Hydrogen bond donor count : 0 Electric dipole moment : 1.609
XLogP : 2.439 VDW volume : 213.422893
Molecular weight : 194.13068 HOMO-LUMO gap : 10.328000
Herb list :
Refrences & Litretures:
  
660.      Journal:'Journal of Chromatography A'      Year:'2007'      Volume:'1150'      Page:'50'      DOI:'10.1016/j.chroma.2006.08.080'      Title:'Analysis of Artemisia annua L. volatile oil by comprehensive two-dimensional gas chromatography time-of-?ight mass spectrometry'
719.      Journal:'Journal of Essential Oil Research'      Year:'2010'      Volume:'22'      Page:'78'      DOI:'10.1080/10412905.2010.9700269'      Title:'Chemical Composition, and Antioxidant and Antimicrobial Activities of Essential Oil of Spearmint (Mentha spicata L.) From Pakistan'
915.      Journal:'International Journal of Plant Science and Ecology'      Year:'2015'      Volume:'1'      Page:'138'      DOI:''      Title:'Essential Oil Composition of Marrubium vulgare L. Cultivated in Egypt'
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