Molecule ID: 5937

IUPAC Name: 5-methylsulfonyloxyhexan-2-yl methanesulfonate

Description: The molecule is a methanesulfonate ester that is hexane-2,5-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups. It has a role as a mutagen and an alkylating agent.

SMILES: CC(CCC(C)OS(C)(=O)=O)OS(C)(=O)=O

SELFIES: [C][C][Branch1][S][C][C][C][Branch1][C][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][O][S][Branch1][C][C][=Branch1][C][=O][=O]

InChI: InChI=1S/C8H18O6S2/c1-7(13-15(3,9)10)5-6-8(2)14-16(4,11)12/h7-8H,5-6H2,1-4H3

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 0.7