Molecule ID: 49792011

IUPAC Name: (5R)-1-hydroperoxy-1,2-dimethyl-5-prop-1-en-2-ylcyclohexane

Description: The molecule is a peroxol (hydroperoxide) obtained from (-)-carvone via sequential methylenation and hydroperoxidation. It has a role as an allergen and a hapten. It derives from a (-)-carvone.

SMILES: C=C(C)[C@@H]1CCC(C)C(C)(OO)C1

SELFIES: [C][=C][Branch1][C][C][C@@H1][C][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][Ring1][O][O][C][Ring1][#Branch2]

InChI: InChI=1S/C11H20O2/c1-8(2)10-6-5-9(3)11(4,7-10)13-12/h9-10,12H,1,5-7H2,2-4H3/t9?,10-,11?/m1/s1

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 3.2