Basic information
- CAS
5867-95-8- Standard SMILES
CCCCOS(=O)(=O)OCC- InChIKey
LLJPJAVXLPTAIK-UHFFFAOYSA-N- Molecular formula
- C6H14O4S
- Average molar mass
- 182.24 g/mol
- Monoisotopic mass
- 182.0612801
Names & identifiers
- Preferred name
- Butyl ethyl sulfate
- IUPAC
- butyl ethyl sulfate
Names & synonyms
Butyl ethyl sulfate5867-95-8Sulfuric acid, butyl ethyl esterethyl n-butyl sulfateSCHEMBL3054380DTXSID80974210
Database identifiers
- CAS
5867-95-8- PubChem CID
- 79979
- DTXSID
DTXSID80974210- Nikkaji
- J1.560.657F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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