≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Temperatura ambiente Ships Normale Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sorrisi canonici | CC1(CC(=O)CCC1C(=O)OC)C |
|---|---|
| IUPAC Name | methyl 2,2-dimethyl-4-oxocyclohexane-1-carboxylate |
| InChIKey | VNJMCDQYRCNFIM-UHFFFAOYSA-N |
| INCHI | 1S/C10H16O3/c1-10(2)6-7(11)4-5-8(10)9(12)13-3/h8H,4-6H2,1-3H3 |
| Isomeri SMILES | CC1(CC(=O)CCC1C(=O)OC)C |
| Peso molecolare | 184.2322 |
| Reaxy-Rn | 23080310 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23080310&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Classe | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid esters |
| Direct Parent | Methyl esters |
| Alternative Parents | Cyclic ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Methyl ester - Cyclic ketone - Ketone - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group. |
| External Descriptors | Not available |
| Peso molecolare | 184.230 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 184.11 Da |
| Monoisotopic Mass | 184.11 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 230.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
