Molecule ID: 91825628

IUPAC Name: 4-hydroxy-6-(4-methyl-2-oxododecyl)pyran-2-one

Description: The molecule is an acyl tetraketide pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 4-methyl-2-oxododecyl group.

SMILES: CCCCCCCCC(C)CC(=O)Cc1cc(O)cc(=O)o1

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

InChI: InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-14(2)10-15(19)11-17-12-16(20)13-18(21)22-17/h12-14,20H,3-11H2,1-2H3

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 4.8