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13-Docosenoic acid
PHCD compound ID : 2530
Chemical Names :
13-Docosenoic acid
Molecular Formula : C22H42O2
Molecular Weight : 338.318481
More Details :
Names & Synonyms: docos-13-enoic acid , 13-docosenoic acid
Smiles: CCCCCCCC/C=C/CCCCCCCCCCCC(=O)O
InChi : InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9+
InChi Key : InChIKey=DPUOLQHDNGRHBS-MDZDMXLPSA-N
PubChem ID : 8216
Rotatable bond count : 19 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.339709
Hydrogen bond donor count : 1 Electric dipole moment : 4.490
XLogP : 10.468 VDW volume : 401.375656
Molecular weight : 338.318481 HOMO-LUMO gap : 10.368000
Herb list :
Refrences & Litretures:
  
291.      Journal:'Food and Bioproducts Processing'      Year:'2012'      Volume:'90'      Page:'87'      DOI:'10.1016/j.fbp.2011.02.010'      Title:'Optimization of enzymatic pretreatment for n-hexane extraction of oil from Silybum marianum seeds using response surface methodology'
713.      Journal:'Trends in Phramaceutical Sciences'      Year:'2016'      Volume:'2'      Page:'77'      DOI:''      Title:'Phytochemical assessments of Astragalus hamosus pods (Iklil-ul-Malik)'
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