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Geranyl isovalerate
PHCD compound ID : 4334
Chemical Names :
Geranyl isovalerate
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: [(2E)-3,7-dimethylocta-2,6-dienyl] 3-methylbutanoate , 3-methylbutanoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester , 3-methylbutyric acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester
Smiles: CC(CC(=O)OC/C=C(/CCC=C(C)C)\C)C
InChi : InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9+
InChi Key : InChIKey=SOUKTGNMIRUIQN-NTEUORMPSA-N
PubChem ID : 5362830
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.212593
Hydrogen bond donor count : 0 Electric dipole moment : 2.198
XLogP : 4.594 VDW volume : 277.667305
Molecular weight : 238.19328 HOMO-LUMO gap : 10.055000
Herb list :
Refrences & Litretures:
  
634.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'110'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'
877.      Journal:'Journal of Applied Pharmaceutical Science'      Year:'2014'      Volume:'4'      Page:'1'      DOI:'10.7324/JAPS.2014.40301'      Title:'Chemical composition, antifungal and antioxidant activity of Pelargonium graveolens essential oil'
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