Molecule ID: 33360

IUPAC Name: (2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate

Description: The molecule is a methanesulfonate ester that is methanesulfonic acid in which the hydrogen of the hydroxy group has been replaced by a 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl group. It is an ether, a methanesulfonate ester and a member of 1-benzofurans.

SMILES: CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C

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

InChI: InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3

Molecular Properties:
- Polar Surface Area: 70.2 Ų
- LogP: 2.7