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Molecule
Tert-Amyl Methyl Ether
CAS: 994-05-8 · C6H14O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 994-05-8
- Molecular Formula
- C6H14O
- Molecular Mass
- 102.18 g/mol
Identifiers
CAS Registry Number
994-05-8
SMILES
CCC(C)(C)OC
InChI Key
HVZJRWJGKQPSFL-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3
Names and Synonyms
- Tert-Amyl Methyl Ether Common Name
- Butane, 2-methoxy-2-methyl- Synonym
- Ether, methyl tert-pentyl Synonym
- 2-Methoxy-2-methylbutane Synonym
- Methyl tert-pentyl ether Synonym
- 2-Methyl-2-methoxybutane Synonym
- tert-Amyl methyl ether Synonym
- 1,1-Dimethylpropyl methyl ether Synonym
- Methyl 1,1-dimethylpropyl ether Synonym
- tert-Pentyl methyl ether Synonym
- TAME (ether) Synonym
- TAME Synonym
- Methyl tert-amyl ether Synonym
- t-Amyl methyl ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.18 g/mol | CAS Common Chemistry |
| 102.17699999999998 g/mol | RDKit | |
| 102.177 g/mol | RDKit | |
| Density | 0.77 g/cm³ | CAS Common Chemistry |
| 0.7703 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tert-Amyl_methyl_ether | CAS Common Chemistry |
| Boiling Point | 86.3 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)C(C)(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HVZJRWJGKQPSFL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | tert-Amyl methyl ether | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | 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
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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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Quick conversion
MW = 102.18 g/mol; density = 0.770 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14O.
