Ethyl ether
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CAS Number 60-29-7
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Catalog Number io-2371
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Classification Ethers
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Molecular Weight 74.1200
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SMILES CCOCC
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Diethyl ether is an ether in which the oxygen atom is linked to two ethyl groups. It has a role as an inhalation anaesthetic, a non-polar solvent and a refrigerant. It is a volatile organic compound and an ether.
| 1 | DIETHYL ETHER |
| 2 | ether |
| 3 | Ethyl ether |
| 4 | Ethoxyethane |
| 5 | Pronarcol |
| Molecular Formula | C4H10O |
|---|---|
| Canonical SMILES | CCOCC |
| Isomeric SMILES | CCOCC |
| Molecular Weight | 74.1200 |
| InChIKey | RTZKZFJDLAIYFH-UHFFFAOYSA-N |
| InChI | InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3 |
| XLogP | 0.9000 |
| ExactMass | 74.0732 |
| MonoisotopicMass | 74.0732 |
| TPSA | 9.2000 |
| Complexity | 11.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 5 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 450040 |
| PatentFamilyCount | 248716 |
| LiteratureCount | 72430 |
