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3,4,5,6-tetramethyl-2,5-octadiene
PHCD compound ID : 2939
Chemical Names :
3,4,5,6-tetramethyl-2,5-octadiene
Molecular Formula : C12H22
Molecular Weight : 166.172151
More Details :
Names & Synonyms: (2E,5E)-3,4,5,6-tetramethylocta-2,5-diene
Smiles: C/C=C(/[C@@H](/C(=C(/CC)\C)/C)C)\C
InChi : InChI=1S/C12H22/c1-7-9(3)11(5)12(6)10(4)8-2/h7,11H,8H2,1-6H3/b9-7+,12-10+/t11-/m0/s1
InChi Key : InChIKey=CZGJNYJFOCCNSF-HCFGDLJCSA-N
PubChem ID : 5362915
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.883439
Hydrogen bond donor count : 0 Electric dipole moment : 0.549
XLogP : 4.765 VDW volume : 210.835357
Molecular weight : 166.172151 HOMO-LUMO gap : 10.197000
Herb list :
Refrences & Litretures:
  
371.      Journal:'Pharmaceutical Crops'      Year:'2011'      Volume:'2'      Page:'28'      DOI:''      Title:'Chemical composition and product quality control of turmeric (Curcuma longa L.)'
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