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Methyl octadecenoate
PHCD compound ID : 4178
Chemical Names :
Methyl octadecenoate
Molecular Formula : C19H36O2
Molecular Weight : 296.27153
More Details :
Names & Synonyms: methyl (E)-octadec-2-enoate , (E)-2-octadecenoic acid methyl ester , (E)-octadec-2-enoic acid methyl ester
Smiles: CCCCCCCCCCCCCCC/C=C/C(=O)OC
InChi : InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h17-18H,3-16H2,1-2H3/b18-17+
InChi Key : InChIKey=CYUVJOWXJUNPHY-ISLYRVAYSA-N
PubChem ID : 5370350
Rotatable bond count : 16 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.481567
Hydrogen bond donor count : 0 Electric dipole moment : 2.798
XLogP : 8.918 VDW volume : 349.487703
Molecular weight : 296.27153 HOMO-LUMO gap : 10.430000
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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