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2,6-Di-tert-butylquinone
PHCD compound ID : 234
Chemical Names :
2,6-Di-tert-butylquinone
Molecular Formula : C14H20O2
Molecular Weight : 220.14633
More Details :
Names & Synonyms: 2,6-ditert-butyl-1,4-benzoquinone , 2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione , 2,6-ditert-butyl-p-benzoquinone
Smiles: O=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
InChi : InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3
InChi Key : InChIKey=RDQSIADLBQFVMY-UHFFFAOYSA-N
PubChem ID : 12867
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.042582
Hydrogen bond donor count : 0 Electric dipole moment : 1.808
XLogP : 2.894 VDW volume : 245.378403
Molecular weight : 220.14633 HOMO-LUMO gap : 8.446000
Herb list :
Refrences & Litretures:
  
14.      Journal:'Phytochem. Anal. 2014, 25, 273'      Year:'2014'      Volume:'25'      Page:'273'      DOI:'10.1002/pca.2503'      Title:'Chemometric Resolution Approaches in Characterisation of Volatile Constituents in Plantago ovata Seeds using Gas Chromatography–Mass Spectrometry: Methodology and Performance Assessment'
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