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Molecule
Ethyl Tert-Butyl Ether
CAS: 637-92-3 · C6H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 637-92-3
- Molecular Formula
- C6H14O
- Molecular Mass
- 102.18 g/mol
Identifiers
CAS Registry Number
637-92-3
SMILES
CCOC(C)(C)C
InChI Key
NUMQCACRALPSHD-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3
Names and Synonyms
- Ethyl Tert-Butyl Ether Common Name
- Propane, 2-ethoxy-2-methyl- Synonym
- Ether, tert-butyl ethyl Synonym
- 2-Ethoxy-2-methylpropane Synonym
- tert-Butyl ethyl ether Synonym
- Ethyl tert-butyl oxide Synonym
- Ethyl 1,1-dimethylethyl ether Synonym
- 1,1-Dimethylethyl ethyl ether Synonym
- Ethyl tert-butyl ether Synonym
- NSC 1069 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.18 g/mol | CAS Common Chemistry |
| 102.17699999999999 g/mol | RDKit | |
| 102.177 g/mol | RDKit | |
| Density | 0.74 g/cm³ | CAS Common Chemistry |
| 0.7404 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethyl_tert-butyl_ether | CAS Common Chemistry |
| Boiling Point | 73.1 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NUMQCACRALPSHD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -94 °C | CAS Common Chemistry |
| Name | Ethyl tert-butyl ether | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.8214000000000001 | RDKit |
| 1.8214 | RDKit | |
| Molar Refractivity | 31.37899999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 102.104465068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 102.18 g/mol; density = 0.740 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14O.
