| Canonical Smiles | CCC[C@H](CO)C(=O)O |
|---|---|
| IUPAC Name | (2R)-2-(hydroxymethyl)pentanoic acid |
| InChIKey | HPVOTSMEHLZBJY-RXMQYKEDSA-N |
| INCHI | 1S/C6H12O3/c1-2-3-5(4-7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1 |
| Molecular Weight | 132.160 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroxy fatty acids |
| Alternative Parents | Methyl-branched fatty acids Beta hydroxy acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Beta-hydroxy acid - Branched fatty acid - Hydroxy fatty acid - Methyl-branched fatty acid - Hydroxy acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Primary alcohol - Organooxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. |
| External Descriptors | Not available |
| Molecular Weight | 132.160 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 132.079 Da |
| Monoisotopic Mass | 132.079 Da |
| Topological Polar Surface Area | 57.500 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 90.300 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
