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ScientificNameLabel
hexyl valerate
PHCD compound ID : 115
Chemical Names :
Hexyl n-valerate , hexyl valerate
Molecular Formula : C11H22O2
Molecular Weight : 186.16198
More Details :
Names & Synonyms: hexyl pentanoate , pentanoic acid hexyl ester , valeric acid hexyl ester
Smiles: CCCCCCOC(=O)CCCC
InChi : InChI=1S/C11H22O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h3-10H2,1-2H3
InChi Key : InChIKey=YERFHJZYNMRVLO-UHFFFAOYSA-N
PubChem ID : 70694
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.709590
Hydrogen bond donor count : 0 Electric dipole moment : 1.994
XLogP : 4.12 VDW volume : 213.756284
Molecular weight : 186.16198 HOMO-LUMO gap : 11.910000
Herb list :
Refrences & Litretures:
  
6.      Journal:'Photochemistry and Photobiology'      Year:'2014'      Volume:'90'      Page:'702'      DOI:'10.1111/php.12229'      Title:'Biochemical Composition and Antioxidant Properties of Lavandula angustifolia Miller Essential Oil are Shielded by Propolis Against UV Radiations'
648.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'841'      DOI:'10.1080/0972060X.2013.862078'      Title:'Essential Oil Composition of Some Wild Populations of Heracleum persicum Desf. Ex Fischer Growing in Iran'
649.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'296'      DOI:'10.1080/10412905.2004.9698725'      Title:'Analysis of the Oil of Heracleum persicum L. (Seeds and Stems)'
650.      Journal:'Span J Agric Res'      Year:'2014'      Volume:'12'      Page:'1166'      DOI:'10.5424/sjar/2014124-6527'      Title:'Chemical composition and bio-pesticidal values of essential oil isolated from the seed of Heracleum persicum Desf. ex Fischer (Apiaceae)'
723.      Journal:'Songklanakarin J. Sci. Technol'      Year:'2014'      Volume:'36'      Page:'83'      DOI:''      Title:'Chemical composition and antimicrobial activity of peppermint (Mentha piperita L.) Essential oil'
760.      Journal:'International Journal of ChemTech Research'      Year:'2014'      Volume:'6'      Page:'4918'      DOI:''      Title:'Chemical composition and fungitoxic activities of Lavandula officinalis L. oil and comparison with synthetic fungicide on the growth some fungi in vitro'
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