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ScientificNameLabel
Ethyl 9-hexadecenoate
PHCD compound ID : 4177
Chemical Names :
Ethyl 9-hexadecenoate
Molecular Formula : C18H34O2
Molecular Weight : 282.25588
More Details :
Names & Synonyms: ethyl (E)-hexadec-9-enoate , (E)-9-hexadecenoic acid ethyl ester , (E)-hexadec-9-enoic acid ethyl ester
Smiles: CCCCCC/C=C/CCCCCCCC(=O)OCC
InChi : InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h9-10H,3-8,11-17H2,1-2H3/b10-9+
InChi Key : InChIKey=JELGPLUONQGOHF-MDZDMXLPSA-N
PubChem ID : 5364759
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.570203
Hydrogen bond donor count : 0 Electric dipole moment : 2.171
XLogP : 7.798 VDW volume : 332.191718
Molecular weight : 282.25588 HOMO-LUMO gap : 10.795000
Herb list :
Refrences & Litretures:
  
582.      Journal:'Food Chemistry'      Year:'2007'      Volume:'101'      Page:'1272'      DOI:'10.1016/j.foodchem.2005.12.029'      Title:'Flavour pro?le of capers (Capparis spinosa L.) from the Eolian Archipelago by HS-SPME/GC–MS'
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