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ScientificNameLabel
methyl 7,10-octadecadienoate
PHCD compound ID : 2099
Chemical Names :
methyl 7,10-octadecadienoate , 7,10-Octadecadienoic acid, methyl ester(7,10-Octadecadienoic acid)
Molecular Formula : C19H34O2
Molecular Weight : 294.25588
More Details :
Names & Synonyms: methyl (7E,10E)-octadeca-7,10-dienoate , (7E,10E)-octadeca-7,10-dienoic acid methyl ester
Smiles: CCCCCCC/C=C/C/C=C/CCCCCC(=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/h9-10,12-13H,3-8,11,14-18H2,1-2H3/b10-9+,13-12+
InChi Key : InChIKey=QETDZFXKONOEOC-OKLKQMLOSA-N
PubChem ID : 5365663
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.539945
Hydrogen bond donor count : 0 Electric dipole moment : 1.679
XLogP : 8.186 VDW volume : 346.851244
Molecular weight : 294.25588 HOMO-LUMO gap : 10.680000
Herb list :
Refrences & Litretures:
  
250.      Journal:'Revista Cubana de Qu?mica'      Year:'2010'      Volume:'XXII'      Page:'65'      DOI:''      Title:'CHEMICAL CONSTITUENTS OF Tamarindus indica L. LEAVES'
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'
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