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2,4,6-Octatriene,3,4-dimethyl
PHCD compound ID : 2838
Chemical Names :
2,4,6-Octatriene,3,4-dimethyl
Molecular Formula : C10H16
Molecular Weight : 136.125201
More Details :
Names & Synonyms: (2E,4E,6E)-3,4-dimethylocta-2,4,6-triene
Smiles: C/C=C/C=C(/C(=C/C)/C)\C
InChi : InChI=1S/C10H16/c1-5-7-8-10(4)9(3)6-2/h5-8H,1-4H3/b7-5+,9-6+,10-8+
InChi Key : InChIKey=WGAUMWNVHAMGJF-AGPUZOHGSA-N
PubChem ID : 5371124
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.601732
Hydrogen bond donor count : 0 Electric dipole moment : 0.637
XLogP : 4.482 VDW volume : 173.606929
Molecular weight : 136.125201 HOMO-LUMO gap : 8.950000
Herb list :
Refrences & Litretures:
  
344.      Journal:'Food Control'      Year:'2014'      Volume:'35'      Page:'109'      DOI:'10.1016/j.foodcont.2013.06.056'      Title:'Chemical composition, antibacterial activity and mechanism of action of essential oil from seeds of fennel (Foeniculum vulgare Mill.)'
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