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ScientificNameLabel
3,5-di-tert-butyl-ortho-benzoquinone
PHCD compound ID : 4294
Chemical Names :
3,5-di-tert-butyl-ortho-benzoquinone
Molecular Formula : C14H20O2
Molecular Weight : 220.14633
More Details :
Names & Synonyms: 3,5-ditert-butyl-1,2-benzoquinone , 3,5-ditert-butylcyclohexa-3,5-diene-1,2-dione , 3,5-ditert-butyl-o-benzoquinone
Smiles: O=C1C=C(C=C(C1=O)C(C)(C)C)C(C)(C)C
InChi : InChI=1S/C14H20O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8H,1-6H3
InChi Key : InChIKey=NOUZOVBGCDDMSX-UHFFFAOYSA-N
PubChem ID : 76915
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.540947
Hydrogen bond donor count : 0 Electric dipole moment : 5.756
XLogP : 3.105 VDW volume : 245.378403
Molecular weight : 220.14633 HOMO-LUMO gap : 8.044000
Herb list :
Refrences & Litretures:
  
619.      Journal:'Iranian Journal of Plant Physiology'      Year:'2012'      Volume:'2'      Page:'339'      DOI:''      Title:'Investigating the chemical composition of different parts extracts of bipod nettle Urtica dioica L. in Tonekabon region'
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