≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Canonical Smiles | CC(C)(C)[Si](C)(C)OCC1=CC(=O)C(=C(O1)C(=O)O)OCC2=CC=CC=C2 |
|---|---|
| IUPAC Name | 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxypyran-2-carboxylic acid |
| InChIKey | SPLBCUGMOHNHOB-UHFFFAOYSA-N |
| INCHI | 1S/C20H26O6Si/c1-20(2,3)27(4,5)25-13-15-11-16(21)17(18(26-15)19(22)23)24-12-14-9-7-6-8-10-14/h6-11H,12-13H2,1-5H3,(H,22,23) |
| Isomeric SMILES | CC(C)(C)[Si](C)(C)OCC1=CC(=O)C(=C(O1)C(=O)O)OCC2=CC=CC=C2 |
| Molecular Weight | 390.507 |
| Reaxy-Rn | 14566173 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14566173&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 | Organoheterocyclic compounds |
| Class | Pyrans |
| Subclass | Pyranones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyranones and derivatives |
| Alternative Parents | Alkyl aryl ethers Benzene and substituted derivatives Trialkylheterosilanes Heteroaromatic compounds Silyl ethers Cyclic ketones Oxacyclic compounds Organic metalloid salts Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Trialkylheterosilane - Heteroaromatic compound - Silyl ether - Cyclic ketone - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterosilane - Organic metalloid salt - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organosilicon compound - Organic oxide - Organooxygen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyranones and derivatives. These are compounds containing a pyran ring which bears a ketone. |
| External Descriptors | Not available |
| Molecular Weight | 390.500 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 390.15 Da |
| Monoisotopic Mass | 390.15 Da |
| Topological Polar Surface Area | 82.100 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 635.000 |
| 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 |
