Back to Search
Molecule
Lithium Tert-Butoxide
CAS: 1907-33-1 · C4H10LiO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1907-33-1
- Molecular Formula
- C4H10LiO
- Molecular Mass
- 81.064 g/mol
Identifiers
CAS Registry Number
1907-33-1
SMILES
CC(C)(C)O.[Li]
InChI Key
UOHBMRODJBFDPN-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O.Li/c1-4(2,3)5;/h5H,1-3H3;
Names and Synonyms
- Lithium Tert-Butoxide Common Name
- 2-Propanol, 2-methyl-, lithium salt Synonym
- 2-Propanol, 2-methyl-, lithium salt (1:1) Synonym
- tert-Butyl alcohol, lithium salt Synonym
- Lithium tert-butoxide Synonym
- (1,1-Dimethylethoxy)lithium Synonym
- Lithium tert-butylate Synonym
- tert-Butoxylithium Synonym
- Lithium tert-butanolate Synonym
- tert-Butanol lithium salt Synonym
- Lithium t-butoxide Synonym
- 2-Methyl-2-propanol lithium salt Synonym
- Lithium 2-methylpropan-2-olate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.897 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_tert-butoxide | CAS Common Chemistry |
| Canonical SMILES | [Li].OC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O.Li/c1-4(2,3)5;/h5H,1-3H3; | CAS Common Chemistry |
| InChI Key | InChIKey=UOHBMRODJBFDPN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lithium tert-butoxide | CAS Common Chemistry |
| Molecular Mass | 81.064 g/mol | RDKit |
| 81.08916949 g/mol | RDKit | |
| 82.072 g/mol | chempirical lib | |
| 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 | 81.06 g/mol | CAS Common Chemistry |
| Boiling Point | 110 °C @ 0.01 Torr | CAS Common Chemistry |
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 = 81.06 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
