Bishexanoyl peroxide
Basic information
- CAS
2400-59-1- Standard SMILES
CCCCCC(=O)OOC(=O)CCCCC- InChIKey
VLAGSAGYAIGJSU-UHFFFAOYSA-N- Molecular formula
- C12H22O4
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.15180918
Names & identifiers
- Preferred name
- Bishexanoyl peroxide
- IUPAC
- hexanoyl hexaneperoxoate
- English name
- bishexanoyl peroxide
- Molecular formula
- C12H22O4
- Molecular weight
- 230.30068
Names & synonyms
Bishexanoyl peroxide2400-59-1dihexanoyl peroxideEINECS 219-273-4DihexanoylperoxidBis(1-oxohexyl) peroxideSCHEMBL1031157DTXSID701313312NS00047269Dicaproyl peroxidePeroxide, bis(1-oxohexyl)
Database identifiers
- CAS
2400-59-1- PubChem CID
- 75457
- DTXSID
DTXSID701313312- EC Number
- 219-273-4
- Nikkaji
- J110.155B
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 292.3 °C · 292.3°C (rough estimate)
- Density
- 0.9874 · 0.9874 (rough estimate)
- refractive index
- 1.4314 · 1.4314 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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