| Canonical Smiles | CP1(=O)OCCO1 |
|---|---|
| IUPAC Name | 2-methyl-1,3,2lambda5-dioxaphospholane 2-oxide |
| InChIKey | UXANWQXYIARNOV-UHFFFAOYSA-N |
| INCHI | 1S/C3H7O3P/c1-7(4)5-2-3-6-7/h2-3H2,1H3 |
| Molecular Weight | 122.060 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic phosphonic acids and derivatives |
| Subclass | Phosphonic acid diesters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dialkyl alkylphosphonates |
| Alternative Parents | Phosphonic acid esters Dioxaphospholanes Oxacyclic compounds Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Dialkyl alkylphosphonate - Phosphonic acid ester - 1,3_dioxaphospholane - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl group. |
| External Descriptors | Not available |
| Molecular Weight | 122.060 g/mol |
|---|---|
| XLogP3 | -0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 122.013 Da |
| Monoisotopic Mass | 122.013 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 101.000 |
| 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 |
