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Home > Encyclopedia > 2-[(5-bromothiophen-2-yl)-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione

2-[(5-bromothiophen-2-yl)-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione

2-[(5-bromothiophen-2-yl)-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione structure

2-[(5-bromothiophen-2-yl)-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione 

structure
  • CAS No:

    312636-20-7

  • Formula:

    C21H25BrO4S

  • Chemical Name:

    2-[(5-bromothiophen-2-yl)-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione

  • Synonyms:

    C21H25BrO4S;BDBM79536;cid_2832800;ZINC9327424;STL327795;AKOS022101900;2,2'-[(5-bromothiophen-2-yl)methanediyl]bis(5,5-dimethylcyclohexane-1,3-dione);2-[(5-bromanylthiophen-2-yl)-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione;2-[(5-bromo-2-thienyl)-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone;2-[(5-bromo-2-thiophenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione;2-[(5-bromothiophen-2-yl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione;312636-20-7

2-[(5-bromothiophen-2-yl)-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione Basic Attributes

453.4 g/mol

452.06569 g/mol

Characteristics

96.5 Ų

Computed Properties

Molecular Weight:453.4
XLogP3:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:452.06569
Monoisotopic Mass:452.06569
Topological Polar Surface Area:96.5
Heavy Atom Count:27
Complexity:596
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-[(5-bromothiophen-2-yl)-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione

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