Molecule ID: 10889657

IUPAC Name: 2-[(1S,4R)-4-hydroperoxy-4-methylcyclohex-2-en-1-yl]propan-2-yl acetate

Description: The molecule is a p-menthane monoterpenoid that is p-menth-2-ene substituted by a hydroperoxy group at position 1 and an acetyloxy group at position 8 (the 1R,4S stereoisomer). Isolated from the leaves of Laurus nobilis, it exhibits trypanocidal activity. It has a role as a metabolite and a trypanocidal drug. It is a p-menthane monoterpenoid, an acetate ester and a peroxol.

SMILES: CC(=O)OC(C)(C)[C@@H]1C=C[C@](C)(OO)CC1

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

InChI: InChI=1S/C12H20O4/c1-9(13)15-11(2,3)10-5-7-12(4,16-14)8-6-10/h5,7,10,14H,6,8H2,1-4H3/t10-,12+/m1/s1

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 1.5