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Octadecadienoic acid
PHCD compound ID : 1644
Chemical Names :
Octadecadienoic acid
Molecular Formula : C18H32O2
Molecular Weight : 280.24023
More Details :
Names & Synonyms: octadeca-2,4-dienoic acid
Smiles: CCCCCCCCCCCCC/C=C/C=C/C(=O)O
InChi : InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h14-17H,2-13H2,1H3,(H,19,20)/b15-14+,17-16+
InChi Key : InChIKey=ADHNUPOJJCKWRT-JLXBFWJWSA-N
PubChem ID : 154212
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.783377
Hydrogen bond donor count : 1 Electric dipole moment : 3.357
XLogP : 8.153 VDW volume : 329.555259
Molecular weight : 280.24023 HOMO-LUMO gap : 8.998000
Herb list :
Refrences & Litretures:
  
183.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'543'      DOI:'10.1080/0972060X.2011.10643971'      Title:'Chemical Compositions of Salix aegyptiaca. L. Obtained by Simultaneous Hydrodistilation and Extraction'
629.      Journal:'Anal Bioanal Chem'      Year:'2016'      Volume:'408'      Page:'3125'      DOI:'10.1007/s00216-016-9376-4'      Title:'Comparative metabolite profiling and fingerprinting of genus Passiflora leaves using a multiplex approach of UPLC-MS and NMR analyzed by chemometric tools'
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