Back to Search
Molecule
Potassium Tert-Butoxide
CAS: 865-47-4 · C4H10KO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 865-47-4
- Molecular Formula
- C4H10KO
- Molecular Mass
- 113.22 g/mol
Identifiers
CAS Registry Number
865-47-4
SMILES
CC(C)(C)O.[K]
InChI Key
XAEBTCPOZVEMHR-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O.K/c1-4(2,3)5;/h5H,1-3H3;
Names and Synonyms
- Potassium Tert-Butoxide Common Name
- 2-Propanol, 2-methyl-, potassium salt (1:1) Synonym
- tert-Butyl alcohol, potassium salt Synonym
- 2-Propanol, 2-methyl-, potassium salt Synonym
- Potassium tert-butoxide Synonym
- Potassium tert-butylate Synonym
- Potassium t-butoxide Synonym
- Potassium 1,1-dimethylethoxide Synonym
- tert-Butoxypotassium Synonym
- 2-Methyl-2-propanol potassium salt Synonym
- tert-Butanol potassium salt Synonym
- Potassium tert-butanolate Synonym
- Potassium 2-methylpropan-2-olate Synonym
- Potassium tert-butanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 113.22 g/mol | CAS Common Chemistry |
| 113.22099999999999 g/mol | RDKit | |
| 113.221 g/mol | RDKit | |
| 114.229 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Potassium_tert-butoxide | CAS Common Chemistry |
| Canonical SMILES | [K].OC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O.K/c1-4(2,3)5;/h5H,1-3H3; | CAS Common Chemistry |
| InChI Key | InChIKey=XAEBTCPOZVEMHR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 220 °C | CAS Common Chemistry |
| Name | Potassium tert-butoxide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.3963999999999999 | RDKit |
| 0.3964 | RDKit | |
| Molar Refractivity | 27.725799999999985 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 113.03687162 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 113.22 g/mol. Edit any field — others recompute live.
