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ScientificNameLabel
6-Octadecenoic acid
PHCD compound ID : 3648
Chemical Names :
6-Octadecenoic acid
Molecular Formula : C18H34O2
Molecular Weight : 282.25588
More Details :
Names & Synonyms: (E)-octadec-6-enoic acid , (E)-6-octadecenoic acid
Smiles: CCCCCCCCCCC/C=C/CCCCC(=O)O
InChi : InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12+
InChi Key : InChIKey=CNVZJPUDSLNTQU-OUKQBFOZSA-N
PubChem ID : 5282754
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.758480
Hydrogen bond donor count : 1 Electric dipole moment : 2.050
XLogP : 8.192 VDW volume : 332.191718
Molecular weight : 282.25588 HOMO-LUMO gap : 10.702000
Herb list :
Refrences & Litretures:
  
509.      Journal:'Asian Pac J Trop Biomed'      Year:'2015'      Volume:'5'      Page:'1033'      DOI:'10.1016/j.apjtb.2015.09.010'      Title:'Gas chromatography mass spectrometry analysis and in vitro antibacterial activity of essential oil from Trigonella foenum-graecum'
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