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ScientificNameLabel
Neryl isovalerate
PHCD compound ID : 2146
Chemical Names :
Neryl isovalerate
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: [(2Z)-3,7-dimethylocta-2,6-dienyl] 3-methylbutanoate , 3-methylbutanoic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester , 3-methylbutyric acid [(2Z)-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-ZROIWOOFSA-N
PubChem ID : 6429039
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.985896
Hydrogen bond donor count : 0 Electric dipole moment : 1.724
XLogP : 4.594 VDW volume : 277.667305
Molecular weight : 238.19328 HOMO-LUMO gap : 9.768000
Herb list :
Refrences & Litretures:
  
255.      Journal:'chemija'      Year:'2009'      Volume:'20'      Page:'190'      DOI:''      Title:'Analysis of the chemical composition of fower essential oils from Arnica montana of Lithuanian origin'
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'
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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