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| Canonical Smiles | CCCCCCCCCCCCOS(=O)(=O)O |
|---|---|
| IUPAC Name | dodecyl hydrogen sulfate |
| InChIKey | MOTZDAYCYVMXPC-UHFFFAOYSA-N |
| INCHI | 1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H,13,14,15) |
| Isomeric SMILES | CCCCCCCCCCCCOS(=O)(=O)O |
| Alternate CAS | 151-41-7,4706-78-9 (potassium salt) |
| MeSH Entry Terms | ammonium dodecyl sulfate;ammonium lauryl sulfate;dodecyl sulfate;dodecyl sulfate, ammonium salt;dodecyl sulfate, barium salt;dodecyl sulfate, cadmium salt;dodecyl sulfate, calcium salt;dodecyl sulfate, cesium salt;dodecyl sulfate, cobalt (+2) salt;dodecyl |
| Molecular Weight | 266.40 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic sulfuric acids and derivatives |
| Subclass | Sulfuric acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfuric acid monoesters |
| Alternative Parents | Alkyl sulfates Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group, with the generic structure ROS(O)(=O)=O, (R=organyl group). |
| External Descriptors | alkyl sulfate |
| Molecular Weight | 266.400 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 12 |
| Exact Mass | 266.155 Da |
| Monoisotopic Mass | 266.155 Da |
| Topological Polar Surface Area | 72.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 244.000 |
| 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 |