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ScientificNameLabel
Eicosyne
PHCD compound ID : 5418
Chemical Names :
Eicosyne
Molecular Formula : C20H38
Molecular Weight : 278.297351
More Details :
Names & Synonyms: icos-1-yne , 1-eicosyne , eicos-1-yne
Smiles: CCCCCCCCCCCCCCCCCCC#C
InChi : InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h1H,4-20H2,2H3
InChi Key : InChIKey=BUSHLWVWPAEVMX-UHFFFAOYSA-N
PubChem ID : 13001
Rotatable bond count : 16 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 10.620981
Hydrogen bond donor count : 0 Electric dipole moment : 1.142
XLogP : 10.585 VDW volume : 349.203234
Molecular weight : 278.297351 HOMO-LUMO gap : 12.293000
Herb list :
Refrences & Litretures:
  
895.      Journal:'Pharmaceutical Biology'      Year:'2003'      Volume:'41'      Page:'399'      DOI:'10.1076/phbi.41.6.399.17826'      Title:'Volatile Compounds in Crude Salvadora persica Extracts'
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