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11-Eicosenoic acid, methyl ester
PHCD compound ID : 1557
Chemical Names :
11-Eicosenoic acid, methyl ester
Molecular Formula : C21H40O2
Molecular Weight : 324.302831
More Details :
Names & Synonyms: methyl (E)-icos-11-enoate , (E)-11-eicosenoic acid methyl ester , (E)-eicos-11-enoic acid methyl ester
Smiles: CCCCCCCC/C=C/CCCCCCCCCC(=O)OC
InChi : InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10+
InChi Key : InChIKey=RBKMRGOHCLRTLZ-ZHACJKMWSA-N
PubChem ID : 5319603
Rotatable bond count : 18 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.414672
Hydrogen bond donor count : 0 Electric dipole moment : 2.239
XLogP : 9.651 VDW volume : 384.079672
Molecular weight : 324.302831 HOMO-LUMO gap : 10.534000
Herb list :
Refrences & Litretures:
  
172.      Journal:'Journal of Chromatography A'      Year:'2012'      Volume:'1252'      Page:'1'      DOI:'10.1016/j.chroma.2012.06.063'      Title:'Comparison of supercritical ?uid extraction and ultrasound-assisted extraction of fatty acids from quince (Cydonia oblonga Miller) seed using response surface methodology and central composite design'
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