Basic information
- CAS
112666-99-6- Standard SMILES
CCCCOC(=O)c1ccccc1C(=O)OOC(=O)c1ccccc1C(=O)OCCCC- InChIKey
GOVGJOGDQDOIAI-UHFFFAOYSA-N- Molecular formula
- C24H26O8
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.16276778
Names & identifiers
- Preferred name
- Butyl 2-(2-butoxycarbonylbenzoyl)peroxycarbonylbenzoate
- IUPAC
- butyl 2-(2-butoxycarbonylbenzoyl)peroxycarbonylbenzoate
Names & synonyms
112666-99-6butyl 2-(2-butoxycarbonylbenzoyl)peroxycarbonylbenzoateSCHEMBL6467436DTXSID80602905
Database identifiers
- CAS
112666-99-6- PubChem CID
- 20140322
- DTXSID
DTXSID80602905- EC Number
- 601-194-5
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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