Molecule ID: 54689128

IUPAC Name: 6-[(E)-but-2-en-2-yl]-4-hydroxy-3-methylpyran-2-one

Description: The molecule is a member of the class of nectriapyrones that is pyran-2-one which is substituted at positions 3, 4, and 6 by methyl, hydroxy, and but-2-en-2-yl groups, respectively in which the butenyl substituent has E configuration. It is a member of nectriapyrones and an organic hydroxy compound.

SMILES: C/C=C(\C)c1cc(O)c(C)c(=O)o1

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

InChI: InChI=1S/C10H12O3/c1-4-6(2)9-5-8(11)7(3)10(12)13-9/h4-5,11H,1-3H3/b6-4+

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 2.2