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ScientificNameLabel
Geranyl isobutyrate
PHCD compound ID : 2830
Chemical Names :
Geranyl isobutyrate , geranyl-isobutanoate
Molecular Formula : C14H24O2
Molecular Weight : 224.17763
More Details :
Names & Synonyms: [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate , 2-methylpropanoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester , 2-methylpropionic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester
Smiles: C/C(=C\COC(=O)C(C)C)/CCC=C(C)C
InChi : InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+
InChi Key : InChIKey=OGJYXQFXLSCKTP-UKTHLTGXSA-N
PubChem ID : 6086514
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.058363
Hydrogen bond donor count : 0 Electric dipole moment : 0.809
XLogP : 3.81 VDW volume : 260.371321
Molecular weight : 224.17763 HOMO-LUMO gap : 10.039000
Herb list :
Refrences & Litretures:
  
341.      Journal:'Journal of Brewing and Distilling'      Year:'2011'      Volume:'2'      Page:'16'      DOI:''      Title:'Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing'
342.      Journal:'Sci. Pharm'      Year:'2006'      Volume:'74'      Page:'189'      DOI:'10.3797/scipharm.2006.74.189'      Title:'Antimicrobial testings, gas chromatographic analysis and olfactory evaluation of an essential oil of hop cones (Humulus lupulus L.) from Bavaria and some of its main compounds'
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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