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2607-52-5 | 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-methylene-
CAS No: 2607-52-5 Catalog No: AG002RKO MDL No:
Product Description
Catalog Number:
AG002RKO
Chemical Name:
2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-methylene-
CAS Number:
2607-52-5
Molecular Formula:
C15H22O
Molecular Weight:
218.3346
IUPAC Name:
2,6-ditert-butyl-4-methylidenecyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C15H22O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9H,1H2,2-7H3
InChI Key:
JJQCWPWUHZFKBN-UHFFFAOYSA-N
SMILES:
C=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
UNII:
49860VI52B
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.167g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.34g/mol
Monoisotopic Mass:
218.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Carbonyl reductase inactivation may contribute to mouse lung tumor promotion by electrophilic metabolites of butylated hydroxytoluene: protein alkylation in vivo and in vitro. | Chemical research in toxicology 20080801 |
| Immunochemical and proteomic analysis of covalent adducts formed by quinone methide tumor promoters in mouse lung epithelial cell lines. | Chemical research in toxicology 20051001 |
| Inhibition of glutathione S-transferase P1-1 in mouse lung epithelial cells by the tumor promoter 2,6-di-tert-butyl-4-methylene-2,5-cyclohexadienone (BHT-quinone methide): protein adducts investigated by electrospray mass spectrometry. | Chemical research in toxicology 20041201 |
| Responses of tumorigenic and non-tumorigenic mouse lung epithelial cell lines to electrophilic metabolites of the tumor promoter butylated hydroxytoluene. | Chemico-biological interactions 20030306 |
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