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8,11-octadecadienoic acid,methyl ester
PHCD compound ID : 2574
Chemical Names :
8,11-Octadacadienoic acid, methyl ester(8,11-Octadacadienoic acid) , 8,11-octadecadienoic acid,methyl ester
Molecular Formula : C19H34O2
Molecular Weight : 294.25588
More Details :
Names & Synonyms: methyl (8E,11E)-octadeca-8,11-dienoate , (8E,11E)-octadeca-8,11-dienoic acid methyl ester
Smiles: CCCCCC/C=C/C/C=C/CCCCCCC(=O)OC
InChi : InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-9,11-12H,3-7,10,13-18H2,1-2H3/b9-8+,12-11+
InChi Key : InChIKey=IQTMIKSIMGHIIR-MVKOLZDDSA-N
PubChem ID : 5319737
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.415542
Hydrogen bond donor count : 0 Electric dipole moment : 1.770
XLogP : 8.186 VDW volume : 346.851244
Molecular weight : 294.25588 HOMO-LUMO gap : 10.580000
Herb list :
Refrences & Litretures:
  
299.      Journal:'J. Med. Plants Res'      Year:'2011'      Volume:'5'      Page:'6972'      DOI:''      Title:'Chemical composition and antimicrobial activity of the flower and root hexane extracts of Althaea officinalis in Northwest Iran'
546.      Journal:'Food Chemistry'      Year:'2007'      Volume:'102'      Page:'1096'      DOI:'10.1016/j.foodchem.2006.06.047'      Title:'Chemical and biological variability of hot pepper fruits (Capsicum annuum var. acuminatum L.) in relation to maturity stage'
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