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ScientificNameLabel
cis-Methyl dihydro jasmonate
PHCD compound ID : 5348
Chemical Names :
cis-Methyl dihydro jasmonate
Molecular Formula : C13H22O3
Molecular Weight : 226.156895
More Details :
Names & Synonyms: methyl 2-[(1S,2R)-3-oxo-2-pentyl-cyclopentyl]acetate , 2-[(1S,2R)-3-oxo-2-pentylcyclopentyl]acetic acid methyl ester , methyl 2-[(1S,2R)-3-oxo-2-pentylcyclopentyl]acetate , methyl 2-[(1S,2R)-3-oxo-2-pentylcyclopentyl]acetate , methyl 2-[(1S,2R)-3-oxidanylidene-2-pentyl-cyclopentyl]ethanoate , 2-[(1S,2R)-2-amyl-3-keto-cyclopentyl]acetic acid methyl ester
Smiles: CCCCC[C@@H]1[C@@H](CCC1=O)CC(=O)OC
InChi : InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3/t10-,11+/m0/s1
InChi Key : InChIKey=KVWWIYGFBYDJQC-WDEREUQCSA-N
PubChem ID : 1738127
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.063952
Hydrogen bond donor count : 0 Electric dipole moment : 1.803
XLogP : 2.655 VDW volume : 242.145563
Molecular weight : 226.156895 HOMO-LUMO gap : 10.896000
Herb list :
Refrences & Litretures:
  
873.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2017'      Volume:'20'      Page:'1137'      DOI:'10.1080/0972060X.2017.1359681'      Title:'Essential Oil Composition of Tilia cordata Flowers'
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