Molecule ID: 6629

IUPAC Name: 2-hydroperoxypropan-2-ylbenzene

Description: The molecule is a peroxol that is cumene in which the alpha-hydrogen is replaced by a hydroperoxy group. It has a role as an oxidising agent, an environmental contaminant and a Mycoplasma genitalium metabolite. It derives from a hydride of a cumene.

SMILES: CC(C)(OO)c1ccccc1

SELFIES: [C][C][Branch1][C][C][Branch1][Ring1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 1.7