1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl-

HCID 367161

Notes Reactions

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Basic information

CAS: 15795-59-2
Standard SMILES: CC1(C)OC(=O)C(=Cc2ccc(Br)cc2)C(=O)O1
InChIKey: BYJCZLGELPMDTC-UHFFFAOYSA-N
Molecular formula: C13H11BrO4
Average molar mass: 311.13 g/mol
Monoisotopic mass: 309.98407

Names & identifiers

Preferred name: 1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl-
IUPAC: 5-[(4-bromophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Names & synonyms

15795-59-21,3-Dioxane-4,6-dione, 5-[(4-bromophenyl)methylene]-2,2-dimethyl-1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl-RefChem:2188495-(4-Bromobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dioneNSC6366305-[(4-bromophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dioneSCHEMBL2074007DTXSID001169261AKOS001649677NSC-636630DB-316873

Show more names

1,3-Dioxane-4,6-dione, 5-(4-bromobenzylideno)-2,2-dimethyl-5-(4-Bromobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione #5-[(4-bromophenyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Database identifiers

CAS: 15795-59-2
PubChem CID: 367161
DTXSID: DTXSID001169261
Nikkaji: J631.352C

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 370

Related reactions

6 records

New reaction record

HRID 600306As productuspto-grants-2011_03

HRID 600307As reactantuspto-grants-2011_03

HRID 1122284As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1130126As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1711999As reactantuspto-grants-2010_09

HRID 1748778As reactantuspto-grants-2015_10

Compound notes

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