Basic information
- Standard SMILES
CC(=O)C(C)CCCCS(=O)(=O)O- InChIKey
FIZOAOKWJAZVQL-UHFFFAOYSA-N- Molecular formula
- C8H16O4S
- Average molar mass
- 208.28 g/mol
Names & identifiers
- Preferred name
- 5-Methyl-6-oxoheptanesulfonic acid
- IUPAC
- 5-methyl-6-oxoheptane-1-sulfonic acid
Names & synonyms
SCHEMBL41564FIZOAOKWJAZVQL-UHFFFAOYSA-N5-methyl-6-oxoheptanesulfonic acid5-methyl-6-oxo-1-heptanesulfonic acid5-methyl-6-oxoheptane-1-sulfonic acid5-methyl-6-oxoheptane-1-sulphonic acid
Database identifiers
- PubChem CID
- 57903351
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 250
Related reactions
13 records
Linked notes
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