≥98 atom% D,≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
Application：
Cyclopentanone-2,2,5,5-d4 is a useful isotopically labeled Cyclopentanone (C988395), which is a chemical compound used in the synthesis of various simple and complex organic compounds. Also used in the synthesis of peptidase IV inhibitors for the treatment of type 2 diabetes.
| Canonical Smiles | C1CCC(=O)C1 |
|---|---|
| IUPAC Name | 2,2,5,5-tetradeuteriocyclopentan-1-one |
| InChIKey | BGTOWKSIORTVQH-KHORGVISSA-N |
| INCHI | 1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2/i3D2,4D2 |
| Isomeric SMILES | [2H]C1(CCC(C1=O)([2H])[2H])[2H] |
| UN Number | 2245 |
| Molecular Weight | 88.14 |
| Reaxy-Rn | 605573 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605573&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 oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Cyclic ketones |
| Alternative Parents | Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. |
| External Descriptors | Not available |
| Refractive Index | n20/D 1.437 (lit.) |
|---|---|
| Flash Point(°F) | 86.0 °F - closed cup |
| Flash Point(°C) | 30.00 °C - closed cup |
| Boil Point(°C) | 130-131℃ (lit.) |
| Melt Point(°C) | −51℃ (lit.) |
| Molecular Weight | 88.140 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 88.0826 Da |
| Monoisotopic Mass | 88.0826 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 58.300 |
| Isotope Atom Count | 4 |
| 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 |
