Basic information
- Standard SMILES
CCCC(C)OS(C)(=O)=O- InChIKey
KARSJLAVUIATPJ-UHFFFAOYSA-N- Molecular formula
- C6H14O3S
- Average molar mass
- 166.24 g/mol
Names & identifiers
- Preferred name
- Pentan-2-yl methanesulfonate
- IUPAC
- pentan-2-yl methanesulfonate
Names & synonyms
SCHEMBL4446331
Database identifiers
- PubChem CID
- 12859934
- Nikkaji
- J944.079H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 166
Related reactions
2 records
Compound notes
Loading…