Molecule ID: 124202347

IUPAC Name: (4S)-6-hydroperoxy-1-methyl-4-prop-1-en-2-ylcyclohexene

Description: The molecule is (4R)-Limonene hydroperoxide where the hydroperoxy group is located at position 2 of the limonene skeleton; one of the two main allergenic hydroperoxides formed by autoxidation of (4R)-limonene. It has a role as an allergen.

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

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

InChI: InChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)10(6-9)12-11/h4,9-11H,1,5-6H2,2-3H3/t9-,10?/m0/s1

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 2.1