| Canonical Smiles | C1CCC(CC1)C(=O)CCCC(=O)O |
|---|---|
| IUPAC Name | 5-cyclohexyl-5-oxopentanoic acid |
| InChIKey | FEHBUZYBKUOFIA-UHFFFAOYSA-N |
| INCHI | 1S/C11H18O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h9H,1-8H2,(H,13,14) |
| Isomeric SMILES | C1CCC(CC1)C(=O)CCCC(=O)O |
| PubChem CID | 298881 |
| Molecular Weight | 198.26 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Carbocyclic fatty acids |
| Alternative Parents | Medium-chain fatty acids Ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Carbocyclic fatty acid - Medium-chain fatty acid - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as carbocyclic fatty acids. These are fatty acids containing a carbocyclic ring . |
| External Descriptors | Not available |
| Molecular Weight | 198.260 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 198.126 Da |
| Monoisotopic Mass | 198.126 Da |
| Topological Polar Surface Area | 54.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 205.000 |
| 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 |
