Methyl tert-butyl ether
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CAS Number 1634-04-4
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Catalog Number io-2683
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Classification Ethers
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Molecular Weight 88.1500
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SMILES CC(C)(C)OC
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Methyl tert-butyl ether is an ether having methyl and tert-butyl as the two alkyl components. It has a role as a non-polar solvent, a fuel additive and a metabolite.
| 1 | tert-Butyl methyl ether |
| 2 | Methyl tert-butyl ether |
| 3 | MTBE |
| 4 | 2-Methoxy-2-methylpropane |
| 5 | Methyl t-butyl ether |
| Molecular Formula | C5H12O |
|---|---|
| Canonical SMILES | CC(C)(C)OC |
| Isomeric SMILES | CC(C)(C)OC |
| Molecular Weight | 88.1500 |
| InChIKey | BZLVMXJERCGZMT-UHFFFAOYSA-N |
| InChI | InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3 |
| XLogP | 0.9000 |
| ExactMass | 88.0888 |
| MonoisotopicMass | 88.0888 |
| TPSA | 9.2000 |
| Complexity | 33.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 6 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 30056 |
| PatentFamilyCount | 13142 |
| LiteratureCount | 8793 |
