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ScientificNameLabel
(Z)-3-hexen-1-yl 2-methyl butyrate
PHCD compound ID : 3473
Chemical Names :
(Z)-3-hexen-1-yl 2-methyl butyrate
Molecular Formula : C11H20O2
Molecular Weight : 184.14633
More Details :
Names & Synonyms: [(Z)-hex-3-enyl] 2-methylbutanoate , 2-methylbutanoic acid [(Z)-hex-3-enyl] ester , 2-methylbutyric acid [(Z)-hex-3-enyl] ester
Smiles: CC/C=C\CCOC(=O)[C@@H](CC)C
InChi : InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-/t10-/m1/s1
InChi Key : InChIKey=JKKGTSUICJWEKB-JYESYGNLSA-N
PubChem ID : 5365069
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.617918
Hydrogen bond donor count : 0 Electric dipole moment : 1.999
XLogP : 3.328 VDW volume : 211.119826
Molecular weight : 184.14633 HOMO-LUMO gap : 10.826000
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'
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