Molecule ID: 45266877

IUPAC Name: (5,5-dimethyl-2-oxooxolan-3-yl)methyl 4-methylbenzenesulfonate

Description: The molecule is a butan-4-olide having a tosyloxymethyl group at the 3-position and two methyl substituents at the 5-position. It is a butan-4-olide and a tosylate ester.

SMILES: Cc1ccc(S(=O)(=O)OCC2CC(C)(C)OC2=O)cc1

SELFIES: [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][Ring1]

InChI: InChI=1S/C14H18O5S/c1-10-4-6-12(7-5-10)20(16,17)18-9-11-8-14(2,3)19-13(11)15/h4-7,11H,8-9H2,1-3H3

Molecular Properties:
- Polar Surface Area: 78.0 Ų
- LogP: 2.2