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2-(1,1-Dimethylethyl)-2,5-cyclohexadiene-1,4-dione
PHCD compound ID : 4598
Chemical Names :
2-(1,1-Dimethylethyl)-2,5-cyclohexadiene-1,4-dione
Molecular Formula : C10H12O2
Molecular Weight : 164.08373
More Details :
Names & Synonyms: 2-tert-butyl-1,4-benzoquinone , 2-tert-butylcyclohexa-2,5-diene-1,4-dione , 2-tert-butyl-p-benzoquinone
Smiles: O=C1C=CC(=O)C(=C1)C(C)(C)C
InChi : InChI=1S/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3
InChi Key : InChIKey=NCCTVAJNFXYWTM-UHFFFAOYSA-N
PubChem ID : 19211
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.285941
Hydrogen bond donor count : 0 Electric dipole moment : 1.191
XLogP : 1.333 VDW volume : 176.194465
Molecular weight : 164.08373 HOMO-LUMO gap : 8.494000
Herb list :
Refrences & Litretures:
  
711.      Journal:'Food Chemistry'      Year:'2001'      Volume:'74'      Page:'443'      DOI:''      Title:'Antioxidant property of aroma extract isolated from clove buds [Syzygium aromaticum (L.) Merr. et Perry]'
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