5-(1,1-Dimethylethyl)-1,3-benzodioxol-2-one

HCID 41197

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Basic information

CAS: 54815-21-3
Standard SMILES: CC(C)(C)c1ccc2oc(=O)oc2c1
InChIKey: KLQJKXDFHGURBO-UHFFFAOYSA-N
Molecular formula: C11H12O3
Average molar mass: 192.21 g/mol
Monoisotopic mass: 192.07864424

Names & identifiers

Preferred name: 5-(1,1-Dimethylethyl)-1,3-benzodioxol-2-one
IUPAC: 5-tert-butyl-1,3-benzodioxol-2-one
English name: 5-tert-Butyl-1,3-benzodioxol-2-one
Molecular formula: C11H12O3
Molecular weight: 192.21

Names & synonyms

54815-21-35-(1,1-DIMETHYLETHYL)-1,3-BENZODIOXOL-2-ONEDTXSID60203313RefChem:299184DTXCID601258045-tert-Butyl-1,3-benzodioxol-2-one1,3-Benzodioxol-2-one, 5-(1,1-dimethylethyl)-5-tert-butyl-2H-1,3-benzodioxol-2-oneKLQJKXDFHGURBO-UHFFFAOYSA-N5-tert-Butyl-1,3-benzodioxol-2-one #DB-317817

Database identifiers

CAS: 54815-21-3
PubChem CID: 41197
DTXSID: DTXSID60203313
Nikkaji: J103.933D

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 241

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