Basic information
- Standard SMILES
CCCCCCCCS(=O)(=O)CC(=O)OC- InChIKey
ZOXCSWUECJEDLS-UHFFFAOYSA-N- Molecular formula
- C11H22O4S
- Average molar mass
- 250.36 g/mol
Names & identifiers
- Preferred name
- Methyl 2-octylsulfonylacetate
- IUPAC
- methyl 2-octylsulfonylacetate
Names & synonyms
Methyl 3-Sulfonylundecanoatemethyl 2-octylsulfonylacetatemethyl n-octanesulphonylacetateCHEMBL322819SCHEMBL4296011ZOXCSWUECJEDLS-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 479449
- ChEMBL
CHEMBL322819- Nikkaji
- J1.402.651G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Related reactions
2 records
Compound notes
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