| Canonical Smiles | CCC(CC)(COS(=O)(=O)C)COS(=O)(=O)C |
|---|---|
| IUPAC Name | [2-ethyl-2-(methylsulfonyloxymethyl)butyl] methanesulfonate |
| InChIKey | BMLZMLKREPRGAS-UHFFFAOYSA-N |
| INCHI | 1S/C9H20O6S2/c1-5-9(6-2,7-14-16(3,10)11)8-15-17(4,12)13/h5-8H2,1-4H3 |
| Molecular Weight | 288.400 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic sulfonic acids and derivatives |
| Subclass | Organosulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organosulfonic acid esters |
| Alternative Parents | Sulfonic acid esters Sulfonyls Methanesulfonates Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Organosulfonic acid ester - Sulfonic acid ester - Sulfonyl - Methanesulfonate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organosulfonic acid esters. These are esters of sulfonic acid, which have the general structure RS(=O)2OR' (R,R' = organyl, not H). |
| External Descriptors | Not available |
| Molecular Weight | 288.400 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 288.07 Da |
| Monoisotopic Mass | 288.07 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 369.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
