Basic information
- CAS
26637-80-9- Standard SMILES
CC(C)c1ccccc1C(C)(C)OO- InChIKey
FLYKCFXKXMGETI-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- 2-[2-(Propan-2-yl)phenyl]propane-2-peroxol
- IUPAC
- 1-(2-hydroperoxypropan-2-yl)-2-propan-2-ylbenzene
Names & synonyms
26637-80-92-[2-(Propan-2-yl)phenyl]propane-2-peroxolSCHEMBL362548SCHEMBL29449728DTXSID60595503
Database identifiers
- CAS
26637-80-9- PubChem CID
- 18674875
- DTXSID
DTXSID60595503
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…