Dimethyldioxirane

HCID 115197

Notes Reactions

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Basic information

CAS: 74087-85-7
Standard SMILES: CC1(C)OO1
InChIKey: FFHWGQQFANVOHV-UHFFFAOYSA-N
Molecular formula: C3H6O2
Average molar mass: 74.08 g/mol
Monoisotopic mass: 74.03677943

Overview

structure given in first source; powerful oxidizing agent

Names & identifiers

Preferred name: Dimethyldioxirane
IUPAC: 3,3-dimethyldioxirane
English name: dimethyldioxirane
Molecular formula: C3H6O2
Molecular weight: 74.08

Names & synonyms

Dimethyldioxirane3,3-Dimethyldioxirane74087-85-7DMDOR5RAT196DJDTXSID90224990RefChem:134340dioxirane, 3,3-dimethyl-DTXCID20147481Dioxirane, dimethyl-dimethyl dioxiraneUNII-R5RAT196DJ

Show more names

dimethyidioxirane3,3-dimethyl-dioxiraneSCHEMBL37682DIMETHYLDIOXIRANE [MI]SCHEMBL1081888FFHWGQQFANVOHV-UHFFFAOYSA-NDB-360262Q762482

Database identifiers

CAS: 74087-85-7
PubChem CID: 115197
DTXSID: DTXSID90224990
UNII: R5RAT196DJ
Nikkaji: J246.785B

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 25.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 42.9

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Boiling point: -21.6 · -21.6±23.0 °C(Predicted)
Density: 1.004 · 1.004±0.06 g/cm3(Predicted)
solubility: 2 Cl2; · sol acetone and CH2Cl2; sol most other organic solvents, but reacts slowly with many of them
FDA UNII: 5 RAT196DJ · R5RAT196DJ

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationElectron-accepting molecules in chemical reactions in which electrons are transferred from one molecule to another (OXIDATION-REDUCTION).