Basic information
- CAS
6331-41-5- Standard SMILES
CCCCCCC(C)C(S(=O)(=O)CC)S(=O)(=O)CC- InChIKey
HZMXJVJBVGTEOY-UHFFFAOYSA-N- Molecular formula
- C13H28O4S2
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.14290172
Names & identifiers
- Preferred name
- 1,1-Bis(ethylsulfonyl)-2-methyloctane
- IUPAC
- 1,1-bis(ethylsulfonyl)-2-methyloctane
Names & synonyms
6331-41-51,1-bis(ethylsulfonyl)-2-methyloctaneNSC47080DTXSID30286714NSC-470801,1-Di(ethanesulfonyl)-2-methyloctane
Database identifiers
- CAS
6331-41-5- PubChem CID
- 240652
- DTXSID
DTXSID30286714
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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