Ethyl octane-1-sulfonate
Basic information
- CAS
5455-54-9- Standard SMILES
CCCCCCCCS(=O)(=O)OCC- InChIKey
ZCJYORWBZJFKRF-UHFFFAOYSA-N- Molecular formula
- C10H22O3S
- Average molar mass
- 222.35 g/mol
- Monoisotopic mass
- 222.12896573
Names & identifiers
- Preferred name
- Ethyl octane-1-sulfonate
- IUPAC
- ethyl octane-1-sulfonate
Names & synonyms
ethyl octane-1-sulfonate5455-54-9Octane sulfonic acid ethyl esterNSC23367SCHEMBL25215798DTXSID00281892NSC-23367
Database identifiers
- CAS
5455-54-9- PubChem CID
- 229588
- DTXSID
DTXSID00281892
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
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Related reactions
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Compound notes
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