Molecule ID: 11401201

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

Description: The molecule is linalool hydroperoxide where the hydroperoxy group is located at position 7 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/C(C)(C)OO

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

InChI: InChI=1S/C10H18O3/c1-5-10(4,11)8-6-7-9(2,3)13-12/h5-7,11-12H,1,8H2,2-4H3/b7-6+

Molecular Properties:
- Polar Surface Area: 49.7 Ų
- LogP: 1.1