| Canonical Smiles | CC(C)COCCC(=O)O |
|---|---|
| IUPAC Name | 3-(2-methylpropoxy)propanoic acid |
| InChIKey | QMMGWVCCHWHWEF-UHFFFAOYSA-N |
| INCHI | 1S/C7H14O3/c1-6(2)5-10-4-3-7(8)9/h6H,3-5H2,1-2H3,(H,8,9) |
| Molecular Weight | 146.180 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carboxylic acids |
| Alternative Parents | Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH. |
| External Descriptors | Not available |
| Molecular Weight | 146.180 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 146.094 Da |
| Monoisotopic Mass | 146.094 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 99.000 |
| 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 |
