Molecule ID: 14336593

IUPAC Name: (3R,3aR,5S,6S,7aR)-5,6-dihydroxy-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one

Description: The molecule is a monoterpenoid that is hexahydro-1-benzofuran-2-one carrying two methyl substituents at positions 3 and 6 as well as two hydroxy substituents at positions 5 and 6 (the 3R,3aR,5S,6S,7aR-diastereomer). It has a role as a plant metabolite. It is a monoterpenoid, a member of benzofurans, a gamma-lactone and a diol.

SMILES: C[C@H]1C(=O)O[C@@H]2C[C@](C)(O)[C@@H](O)C[C@@H]21

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

InChI: InChI=1S/C10H16O4/c1-5-6-3-8(11)10(2,13)4-7(6)14-9(5)12/h5-8,11,13H,3-4H2,1-2H3/t5-,6-,7-,8+,10+/m1/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 0.2