Basic information
- CAS
89489-63-4- Standard SMILES
CC(=O)C=CC(C)OO- InChIKey
IFOXPWKIGGQGRR-UHFFFAOYSA-N- Molecular formula
- C6H10O3
- Average molar mass
- 130.14 g/mol
Names & identifiers
- Preferred name
- Hydroperoxide, 1-methyl-4-oxo-2-pentenyl
- IUPAC
- 5-hydroperoxyhex-3-en-2-one
- English name
- Hydroperoxide, 1-methyl-4-oxo-2-pentenyl (7CI)
- Molecular formula
- C6H10O3
- Molecular weight
- 130.14
Names & synonyms
89489-63-4DB-287511HYDROPEROXIDE, 1-METHYL-4-OXO-2-PENTENYL3-Hexen-2-one, 5-hydroperoxy-Hydroperoxide, 1-methyl-4-oxo-2-pentenyl (7CI)
Database identifiers
- CAS
89489-63-4
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Boiling point
- 269.5 · 269.5±33.0 °C(Predicted)
- Density
- 1.061 · 1.061±0.06 g/cm3(Predicted)
- pka
- 11.06 · 11.06±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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