2,2-Dihydroperoxybutane
Basic information
- CAS
2625-67-4- Standard SMILES
CCC(C)(OO)OO- InChIKey
GIHSGBFMYFAEDX-UHFFFAOYSA-N- Molecular formula
- C4H10O4
- Average molar mass
- 122.12 g/mol
- Monoisotopic mass
- 122.0579088
Names & identifiers
- Preferred name
- 2,2-Dihydroperoxybutane
- IUPAC
- 2,2-dihydroperoxybutane
- English name
- sec-butylidene hydroperoxide
- Molecular formula
- C4H10O4
- Molecular weight
- 122.12
Names & synonyms
2,2-dihydroperoxybutanesec-Butylidene hydroperoxide2625-67-45O3U08408AHydroperoxide,1,1'-(1-methylpropylidene)bis-BUTANE-2,2-DIPEROXOLUNII-5O3U08408AEINECS 220-091-2SCHEMBL375143SCHEMBL27651317DTXSID50180886GIHSGBFMYFAEDX-UHFFFAOYSA-N
Show more names
(1-Methylpropylidene)bishydroperoxideHydroperoxide, 1,1'-(1-methylpropylidene)bis-
NS00028069(1-METHYLPROPYLIDENE)BIS(HYDROPEROXIDE)Q27262623
Database identifiers
- CAS
2625-67-4- PubChem CID
- 75811
- DTXSID
DTXSID50180886- UNII
- 5O3U08408A
- EC Number
- 220-091-2
- Nikkaji
- J192.138J
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 59.1
Physicochemical properties
- Boiling point
- 261.463 · 261.463±23.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.446 · 11.446±0.30(predicted)
- FDA UNII
- 5 O3U08408A · 5O3U08408A
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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