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ScientificNameLabel
trans-Carvyl propionate
PHCD compound ID : 4816
Chemical Names :
trans-Carvyl propionate
Molecular Formula : C13H20O2
Molecular Weight : 208.14633
More Details :
Names & Synonyms: [(1S,5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-yl] propanoate , propanoic 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] propanoate , [(1S,5R)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-yl] propanoate , propionic acid [(1S,5R)-5-isopropenyl-2-methyl-cyclohex-2-en-1-yl] ester
Smiles: CCC(=O)O[C@H]1C[C@@H](CC=C1C)C(=C)C
InChi : InChI=1S/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3/t11-,12+/m1/s1
InChi Key : InChIKey=DFVXNZOMAOGTBL-NEPJUHHUSA-N
PubChem ID : 688053
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.540233
Hydrogen bond donor count : 0 Electric dipole moment : 2.526
XLogP : 2.692 VDW volume : 230.718877
Molecular weight : 208.14633 HOMO-LUMO gap : 10.292000
Herb list :
Refrences & Litretures:
  
781.      Journal:'Digest Journal of Nanomaterials and Biostructures'      Year:'2009'      Volume:'4'      Page:'835'      DOI:''      Title:'CHEMICAL CHARACTERIZATION OF BIOACTIVE VOLATILE MOLECULES OF FOUR THYMUS SPECIES USING NANOSCALE INJECTION METHOD'
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