Skip Navigation Links
ScientificNameLabel
Methyl-9-octadecenoate
PHCD compound ID : 4800
Chemical Names :
Methyl-9-octadecenoate
Molecular Formula : C19H36O2
Molecular Weight : 296.27153
More Details :
Names & Synonyms: methyl octadec-9-enoate , 9-octadecenoic acid methyl ester , octadec-9-enoic acid methyl ester
Smiles: CCCCCCCCC=CCCCCCCCC(=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/h10-11H,3-9,12-18H2,1-2H3
InChi Key : InChIKey=QYDYPVFESGNLHU-UHFFFAOYSA-N
PubChem ID : 8202
Rotatable bond count : 16 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.382956
Hydrogen bond donor count : 0 Electric dipole moment : 2.056
XLogP : 8.513 VDW volume : 349.487703
Molecular weight : 296.27153 HOMO-LUMO gap : 10.512000
Herb list :
Refrences & Litretures:
  
774.      Journal:'Asian Journal of Chemistry'      Year:'2011'      Volume:'23'      Page:'1940'      DOI:''      Title:'Analysis of the Essential Oil from the Flower of Polygonum bistorta L. subsp. carneum (Koch)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us