| Sonrisas canónicas | CCOP(=O)(CCCCC(=O)O)OCC |
|---|---|
| IUPAC Name | 5-diethoxyphosphorylpentanoic acid |
| InChIKey | YGEORQNREMLBKS-UHFFFAOYSA-N |
| INCHI | 1S/C9H19O5P/c1-3-13-15(12,14-4-2)8-6-5-7-9(10)11/h3-8H2,1-2H3,(H,10,11) |
| Isómeros SMILES | CCOP(=O)(CCCCC(=O)O)OCC |
| PubChem CID | 2773735 |
| Peso molecular | 238.22 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Organic phosphonic acids and derivatives |
| Subclass | Phosphonic acid diesters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dialkyl alkylphosphonates |
| Alternative Parents | Phosphonic acid esters Fatty acids and conjugates Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Dialkyl alkylphosphonate - Fatty acid - Phosphonic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Descripción | 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 |
| Peso molecular | 238.220 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 238.097 Da |
| Monoisotopic Mass | 238.097 Da |
| Topological Polar Surface Area | 72.800 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 219.000 |
| 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 |
