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Molecule
Potassium Tert-Amylate
CAS: 41233-93-6 · C5H12KO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 41233-93-6
- Molecular Formula
- C5H12KO
- Molecular Mass
- 127.25 g/mol
Identifiers
CAS Registry Number
41233-93-6
SMILES
CCC(C)(C)O.[K]
InChI Key
GGIFEFBEDYDOTI-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O.K/c1-4-5(2,3)6;/h6H,4H2,1-3H3;
Names and Synonyms
- Potassium Tert-Amylate Common Name
- 2-Butanol, 2-methyl-, potassium salt (1:1) Synonym
- 2-Butanol, 2-methyl-, potassium salt Synonym
- Potassium tert-pentyloxide Synonym
- Potassium tert-pentoxide Synonym
- Potassium tert-amylate Synonym
- Potassium 1,1-dimethylpropoxide Synonym
- Potassium 1,1-dimethyl-1-propoxide Synonym
- Potassium 2-methyl-2-butanoxide Synonym
- 2-Methyl-2-butanol potassium salt Synonym
- Potassium 2-methyl-2-butoxide Synonym
- tert-Amyloxypotassium Synonym
- Potassium tert-amyloxide Synonym
- tert-Amyl alcohol potassium salt Synonym
- Potassium 1,1-dimethylpropylate Synonym
- Potassium tert-pentylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 127.25 g/mol | CAS Common Chemistry |
| 127.24799999999998 g/mol | RDKit | |
| 127.248 g/mol | RDKit | |
| 128.256 g/mol | chempirical lib | |
| Canonical SMILES | [K].OC(C)(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C5H12O.K/c1-4-5(2,3)6;/h6H,4H2,1-3H3; | CAS Common Chemistry |
| InChI Key | InChIKey=GGIFEFBEDYDOTI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium tert-amylate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.7865 | RDKit |
| Molar Refractivity | 32.34279999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 127.052521684 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| 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 = 127.25 g/mol. Edit any field — others recompute live.
