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ScientificNameLabel
Methyl 2-octylcyclopropene-1-heptanoate
PHCD compound ID : 2579
Chemical Names :
Methyl 2-octylcyclopropene-1-heptanoate
Molecular Formula : C19H34O2
Molecular Weight : 294.25588
More Details :
Names & Synonyms: methyl 7-(2-octylcyclopropen-1-yl)heptanoate , 7-(2-octyl-1-cyclopropenyl)heptanoic acid methyl ester , 7-(2-octylcyclopropen-1-yl)enanthic acid methyl ester
Smiles: CCCCCCCCC1=C(C1)CCCCCCC(=O)OC
InChi : InChI=1S/C19H34O2/c1-3-4-5-6-7-10-13-17-16-18(17)14-11-8-9-12-15-19(20)21-2/h3-16H2,1-2H3
InChi Key : InChIKey=GYLXZHKHPYLEIF-UHFFFAOYSA-N
PubChem ID : 283632
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.155950
Hydrogen bond donor count : 0 Electric dipole moment : 2.282
XLogP : 7.138 VDW volume : 337.131244
Molecular weight : 294.25588 HOMO-LUMO gap : 10.173000
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'
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