Oxirane oxygen：7.8-8.5 (mixture of isomers) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice 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 | C1CC(CCC1COC(=O)C2CCC3C(C2)O3)COC(=O)C4CCC5C(C4)O5 |
|---|---|
| IUPAC Name | [4-(7-oxabicyclo[4.1.0]heptane-3-carbonyloxymethyl)cyclohexyl]methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate |
| InChIKey | NRJLSUZLHMXXHJ-UHFFFAOYSA-N |
| INCHI | 1S/C22H32O6/c23-21(15-5-7-17-19(9-15)27-17)25-11-13-1-2-14(4-3-13)12-26-22(24)16-6-8-18-20(10-16)28-18/h13-20H,1-12H2 |
| Isomeric SMILES | C1CC(CCC1COC(=O)C2CCC3C(C2)O3)COC(=O)C4CCC5C(C4)O5 |
| Molecular Weight | 392.49 |
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 | Oxepanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxepanes |
| Alternative Parents | Dicarboxylic acids and derivatives Carboxylic acid esters Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Oxepane - Dicarboxylic acid or derivatives - Carboxylic acid ester - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. |
| External Descriptors | Not available |
| Sensitivity | Heat sensitive |
|---|---|
| Molecular Weight | 392.500 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 392.22 Da |
| Monoisotopic Mass | 392.22 Da |
| Topological Polar Surface Area | 77.700 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 546.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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