2,5-Cyclohexadien-1-one, 2,4,6-tris(1,1-dimethylethyl)-4-hydroperoxy-
Basic information
- CAS
33919-05-0- Standard SMILES
CC(C)(C)C1=CC(OO)(C(C)(C)C)C=C(C(C)(C)C)C1=O- InChIKey
GFTCQHXFHOUISG-UHFFFAOYSA-N- Molecular formula
- C18H30O3
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.21949481
Names & identifiers
- Preferred name
- 2,5-Cyclohexadien-1-one, 2,4,6-tris(1,1-dimethylethyl)-4-hydroperoxy-
- IUPAC
- 2,4,6-tritert-butyl-4-hydroperoxycyclohexa-2,5-dien-1-one
Names & synonyms
33919-05-02,5-Cyclohexadien-1-one, 2,4,6-tris(1,1-dimethylethyl)-4-hydroperoxy-DTXSID904527562,4,6-TRI-TERT-BUTYL-4-HYDROPEROXYCYCLOHEXA-2,5-DIEN-1-ONE
Database identifiers
- CAS
33919-05-0- PubChem CID
- 11033736
- DTXSID
DTXSID90452756- Nikkaji
- J928.118E
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 454
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