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ScientificNameLabel
Geranyl 2-methylbutyrate
PHCD compound ID : 3035
Chemical Names :
Geranyl 2-methylbutyrate , geranyl-2-methyl-butanoate
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylbutanoate , 2-methylbutanoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester , 2-methylbutyric acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester
Smiles: CC[C@H](C(=O)OC/C=C(/CCC=C(C)C)\C)C
InChi : InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+/t14-/m1/s1
InChi Key : InChIKey=PEQMAZJTEUEQJP-JWAFFJSPSA-N
PubChem ID : 6437648
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.961679
Hydrogen bond donor count : 0 Electric dipole moment : 0.987
XLogP : 4.379 VDW volume : 277.667305
Molecular weight : 238.19328 HOMO-LUMO gap : 10.161000
Herb list :
Refrences & Litretures:
  
385.      Journal:'Eur J Clin Microbiol Infect Dis'      Year:'2012'      Volume:'31'      Page:'1015'      DOI:'10.1007/s10096-011-1400-1'      Title:'Antistaphylococcal activity of Inula helenium L. root essential oil: eudesmane sesquiterpene lactones induce cell membrane damage'
698.      Journal:'Journal of Essential Oil Research'      Year:'2015'      Volume:'27'      Page:'465'      DOI:'10.1080/10412905.2015.1065773'      Title:'Chemical composition of essential oils of leaves and flowers from five cultivars of myrtle (Myrtus communis L.)'
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