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ScientificNameLabel
trans-carvyl acetate
PHCD compound ID : 3539
Chemical Names :
trans-carvyl acetate
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: [(1R,5S)-5-isopropenyl-2-methyl-cyclohex-2-en-1-yl] acetate , acetic acid [(1R,5S)-2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enyl] ester , [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate , [(1R,5S)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-yl] ethanoate , acetic acid [(1R,5S)-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+/m0/s1
InChi Key : InChIKey=YTHRBOFHFYZBRJ-NWDGAFQWSA-N
PubChem ID : 6951358
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.556263
Hydrogen bond donor count : 0 Electric dipole moment : 2.498
XLogP : 2.439 VDW volume : 213.422893
Molecular weight : 194.13068 HOMO-LUMO gap : 10.299000
Herb list :
Refrences & Litretures:
  
495.      Journal:'Journal of Essential Oil Research'      Year:'2002'      Volume:'14'      Page:'1'      DOI:'10.1080/10412905.2002.9699741'      Title:'Composition of the Essential Oil of Tanacetum balsamita L. ssp. balsamitoides (Schultz Bip.) Grierson from Iran'
718.      Journal:'J. Agric. Food Chem'      Year:'1998'      Volume:'46'      Page:'1739'      DOI:'10.1021/jf9708296'      Title:'Antifungal Activities of Origanum vulgare subsp. hirtum, Mentha spicata, Lavandula angustifolia, and Salvia fruticosa Essential Oils against Human Pathogenic Fungi'
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