| Sonrisas canónicas | COC(=O)CCC(=C)C(=O)O |
|---|---|
| IUPAC Name | 5-methoxy-2-methylidene-5-oxopentanoic acid |
| InChIKey | OKHGTVXZDNDAGT-UHFFFAOYSA-N |
| INCHI | 1S/C7H10O4/c1-5(7(9)10)3-4-6(8)11-2/h1,3-4H2,2H3,(H,9,10) |
| Peso molecular | 158.15 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Clase | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Branched fatty acids |
| Alternative Parents | Fatty acid methyl esters Unsaturated fatty acids Dicarboxylic acids and derivatives Methyl esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid methyl ester - Fatty acid ester - Branched fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as branched fatty acids. These are fatty acids containing a branched chain. |
| External Descriptors | Not available |
| Peso molecular | 158.150 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 158.058 Da |
| Monoisotopic Mass | 158.058 Da |
| Topological Polar Surface Area | 63.600 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 183.000 |
| 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 |
