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ScientificNameLabel
Phenol.2.5-bis(1.1-dimethylethyl)
PHCD compound ID : 3776
Chemical Names :
Phenol.2.5-bis(1.1-dimethylethyl)
Molecular Formula : C14H22O1
Molecular Weight : 206.167065
More Details :
Names & Synonyms: 2,5-ditert-butylphenol
Smiles: Oc1cc(ccc1C(C)(C)C)C(C)(C)C
InChi : InChI=1S/C14H22O/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9,15H,1-6H3
InChi Key : InChIKey=KDBZVULQVCUNNA-UHFFFAOYSA-N
PubChem ID : 79983
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.772530
Hydrogen bond donor count : 1 Electric dipole moment : 1.494
XLogP : 4.279 VDW volume : 228.324635
Molecular weight : 206.167065 HOMO-LUMO gap : 9.152000
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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