Molecule ID: 19309

IUPAC Name: 4-hydroxy-2,5-dimethylfuran-3-one

Description: The molecule is a member of the class of furans that is 2,5-dimethylfuran carrying additional oxo and hydroxy groups at positions 3 and 4 respectively. It has been found particularly in strawberries and other such fruits. It has a role as a flavouring agent, a fragrance and a plant metabolite. It is a member of furans, an enol and a cyclic ketone. It is a conjugate acid of a 4-hydroxy-2,5-dimethylfuran-3-olate.

SMILES: CC1=C(O)C(=O)C(C)O1

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

InChI: InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 0.7