2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone
Basic information
- CAS
13154-57-9- Standard SMILES
CC(C)(C)OOC1(C)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1- InChIKey
ZWNSJLOCNGQCRD-UHFFFAOYSA-N- Molecular formula
- C19H32O3
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.23514488
Names & identifiers
- Preferred name
- 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone
- IUPAC
- 2,6-ditert-butyl-4-tert-butylperoxy-4-methylcyclohexa-2,5-dien-1-one
- English name
- 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone
- Molecular formula
- C19H32O3
- Molecular weight
- 308.46
Names & synonyms
13154-57-92,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienoneCCRIS 3845DTXSID40157103RefChem:248109DTXCID60795942,6-ditert-butyl-4-tert-butylperoxy-4-methylcyclohexa-2,5-dien-1-oneSCHEMBL26004867HY7696XR22,6-DI-TERT-BUTYL-4-(TERT-BUTYLPEROXY)-4-METHYLCYCLOHEXA-2,5-DIEN-1-ONE2,6-di(t-butyl)-4-t-butylperoxy-4-methylcyclohexa-2,5-dienone2,6-Bis(1,1-dimethylethyl)-4-[(1,1-dimethylethyl)dioxy]-4-methyl-2,5-cyclohexadien-1-one
Show more names
2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-[(1,1-dimethylethyl)dioxy]-4-methyl-
Database identifiers
- CAS
13154-57-9- PubChem CID
- 155408
- DTXSID
DTXSID40157103- UNII
- 7HY7696XR2
- Nikkaji
- J852.269C
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 468
Physicochemical properties
- Melting point
- 74 °C · 74 °C(Solv: ethanol (64-17-5))
- Boiling point
- 362.8 · 362.8±42.0 °C(Predicted)
- Density
- 0.96 · 0.96±0.1 g/cm3(Predicted)
- Comptox DTXSID
- 40157103 · DTXSID40157103
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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