Molecule ID: 10998327

IUPAC Name: (3R,3aR,6S,6aS)-6-butyl-3-methyl-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione

Description: The molecule is a member of the class of furofurans that is tetrahydrofuro[3,4-b]furan-2,4-dione substituted at positions 3 and 6 by methyl and butyl groups respectively (the 3R,3aR,6S,6aS-stereoisomer). It has a role as a fungal metabolite. It is a furofuran and a gamma-lactone.

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

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

InChI: InChI=1S/C11H16O4/c1-3-4-5-7-9-8(11(13)14-7)6(2)10(12)15-9/h6-9H,3-5H2,1-2H3/t6-,7+,8-,9-/m1/s1

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 2.0