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ScientificNameLabel
Benzene.1.3-bis(1.1-dimethylethyl)-
PHCD compound ID : 3803
Chemical Names :
Benzene.1.3-bis(1.1-dimethylethyl)-
Molecular Formula : C14H22
Molecular Weight : 190.172151
More Details :
Names & Synonyms: 1,3-ditert-butylbenzene
Smiles: CC(c1cccc(c1)C(C)(C)C)(C)C
InChi : InChI=1S/C14H22/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H3
InChi Key : InChIKey=ILNDSSCEZZFNGE-UHFFFAOYSA-N
PubChem ID : 136810
Rotatable bond count : 2 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.142155
Hydrogen bond donor count : 0 Electric dipole moment : 0.596
XLogP : 5.626 VDW volume : 219.534409
Molecular weight : 190.172151 HOMO-LUMO gap : 9.671000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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