Molecule ID: 124202350

IUPAC Name: (5Z)-6-hydroperoxy-3,7-dimethylocta-1,5-dien-3-ol

Description: The molecule is linalool hydroperoxide where the hydroperoxy group is located at position 6 of the linalool skeleton; one of the two main allergenic hydroperoxides formed by autoxidation of linalool. It has a role as an allergen.

SMILES: C=CC(C)(O)C/C=C(\OO)C(C)C

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

InChI: InChI=1S/C10H18O3/c1-5-10(4,11)7-6-9(13-12)8(2)3/h5-6,8,11-12H,1,7H2,2-4H3/b9-6-

Molecular Properties:
- Polar Surface Area: 49.7 Ų
- LogP: 1.8