Skip Navigation Links
ScientificNameLabel
trans-Hex-2-enyl butanoate
PHCD compound ID : 2313
Chemical Names :
trans-Hex-2-enyl butanoate , (E)-2-Hexen-1-yl butanoate
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: [(E)-hex-2-enyl] butanoate , butanoic acid [(E)-hex-2-enyl] ester , butyric acid [(E)-hex-2-enyl] ester
Smiles: CCC/C=C/COC(=O)CCC
InChi : InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
InChi Key : InChIKey=PCGACKLJNBBQGM-VOTSOKGWSA-N
PubChem ID : 5352461
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.834937
Hydrogen bond donor count : 0 Electric dipole moment : 2.046
XLogP : 3.235 VDW volume : 193.823841
Molecular weight : 170.13068 HOMO-LUMO gap : 10.764000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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