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ScientificNameLabel
cis-3-Hexenyl caproate
PHCD compound ID : 1568
Chemical Names :
cis-3-Hexenyl caproate , (Z)-3-Hexen-1-yl hexanoate
Molecular Formula : C12H22O2
Molecular Weight : 198.16198
More Details :
Names & Synonyms: [(Z)-hex-3-enyl] hexanoate , hexanoic acid [(Z)-hex-3-enyl] ester
Smiles: CCCCCC(=O)OCC/C=C\CC
InChi : InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-
InChi Key : InChIKey=RGACQXBDYBCJCY-ALCCZGGFSA-N
PubChem ID : 5352543
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.561416
Hydrogen bond donor count : 0 Electric dipole moment : 1.508
XLogP : 4.173 VDW volume : 228.41581
Molecular weight : 198.16198 HOMO-LUMO gap : 10.758000
Herb list :
Refrences & Litretures:
  
174.      Journal:'Agric. Bioi. Chern'      Year:'1983'      Volume:'47'      Page:'2495'      DOI:'10.1080/00021369.1983.10865983'      Title:'Volatile Components of Quince Fruit (Cydonia oblonga Mill.)'
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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