Skip Navigation Links
ScientificNameLabel
(Z)-3-Hexen-1-yl valerate
PHCD compound ID : 3475
Chemical Names :
(Z)-3-Hexen-1-yl valerate
Molecular Formula : C11H20O2
Molecular Weight : 184.14633
More Details :
Names & Synonyms: [(Z)-hex-3-enyl] pentanoate , pentanoic acid [(Z)-hex-3-enyl] ester , valeric acid [(Z)-hex-3-enyl] ester
Smiles: CCCCC(=O)OCC/C=C\CC
InChi : InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-
InChi Key : InChIKey=XPFTVTFOOTVHIA-ALCCZGGFSA-N
PubChem ID : 5367682
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.678181
Hydrogen bond donor count : 0 Electric dipole moment : 2.305
XLogP : 3.604 VDW volume : 211.119826
Molecular weight : 184.14633 HOMO-LUMO gap : 10.806000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us