Basic information
- CAS
26444-17-7- Standard SMILES
Cc1ccccc1C(C)(C)OO- InChIKey
PMHODFQTVFDQPV-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- Hydroperoxide, 1-methyl-1-(methylphenyl)ethyl
- IUPAC
- 1-(2-hydroperoxypropan-2-yl)-2-methylbenzene
Names & synonyms
26444-17-7Hydroperoxide, 1-methyl-1-(methylphenyl)ethyl2-(2-METHYLPHENYL)PROPANE-2-PEROXOLSCHEMBL8740212DTXSID50431128
Database identifiers
- CAS
26444-17-7- PubChem CID
- 9815313
- DTXSID
DTXSID50431128- Nikkaji
- J28.448C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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