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ScientificNameLabel
9-Heneicosene
PHCD compound ID : 4333
Chemical Names :
9-Heneicosene
Molecular Formula : C21H42
Molecular Weight : 294.328651
More Details :
Names & Synonyms: henicos-9-ene , 9-heneicosene , heneicos-9-ene
Smiles: CCCCCCCCCCCC=CCCCCCCCC
InChi : InChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-21H2,1-2H3
InChi Key : InChIKey=NVBODECJSYHQIE-UHFFFAOYSA-N
PubChem ID : 4460170
Rotatable bond count : 17 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 9.440461
Hydrogen bond donor count : 0 Electric dipole moment : 0.439
XLogP : 11.773 VDW volume : 369.135677
Molecular weight : 294.328651 HOMO-LUMO gap : 10.729000
Herb list :
Refrences & Litretures:
  
634.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'110'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'
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