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ScientificNameLabel
Cis-3-hexenyl isovalerate
PHCD compound ID : 3474
Chemical Names :
(Z)-3-Hexen-1-yl isovalerate , Cis-3-hexenyl isovalerate
Molecular Formula : C11H20O2
Molecular Weight : 184.14633
More Details :
Names & Synonyms: [(Z)-hex-3-enyl] 3-methylbutanoate , 3-methylbutanoic acid [(Z)-hex-3-enyl] ester , 3-methylbutyric acid [(Z)-hex-3-enyl] ester
Smiles: CC/C=C\CCOC(=O)CC(C)C
InChi : InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-
InChi Key : InChIKey=AIQLNKITFBJPFO-WAYWQWQTSA-N
PubChem ID : 5367681
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.570390
Hydrogen bond donor count : 0 Electric dipole moment : 2.230
XLogP : 3.543 VDW volume : 211.119826
Molecular weight : 184.14633 HOMO-LUMO gap : 10.796000
Herb list :
Refrences & Litretures:
  
485.      Journal:'J Chem Ecol'      Year:'2006'      Volume:'32'      Page:'2303'      DOI:'10.1007/s10886-006-9146-4'      Title:'Volatile Emissions from Aesculus hippocastanum Induced by Mining of Larval Stages of Cameraria ohridella Influence Oviposition by Conspecific Females'
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'
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