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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 Weight:
81.064 g/mol
Names and Synonyms:
Lithium Tert-Butoxide
Common Name
Lithium 2-methylpropan-2-olate
Synonym
2-Methyl-2-propanol lithium salt
Synonym
Lithium t-butoxide
Synonym
tert-Butanol lithium salt
Synonym
Lithium tert-butanolate
Synonym
tert-Butoxylithium
Synonym
Lithium tert-butylate
Synonym
(1,1-Dimethylethoxy)lithium
Synonym
Lithium tert-butoxide
Synonym
2-Propanol, 2-methyl-, lithium salt
Synonym
tert-Butyl alcohol, lithium salt
Synonym
2-Propanol, 2-methyl-, lithium salt (1:1)
Synonym
Identifiers:
SMILES:
CC(C)(C)O.[Li]
InChI:
InChI=1S/C4H10O.Li/c1-4(2,3)5;/h5H,1-3H3;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 81.064 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 81.08916949 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.3963999999999999 | RDKit |
| molecular_mass | 81.06 g/mol | Legacy Database |
| density | 0.90 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Lithium_tert-butoxide None | Legacy Database |
| cas-boiling-point | 110 °C @ Press: 0.01 Torr None | Legacy Database |
| cas-canonical-smile | [Li].OC(C)(C)C None | Legacy Database |
| cas-density | 0.897 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C4H10O.Li/c1-4(2,3)5;/h5H,1-3H3; None | Legacy Database |
| cas-inchi-key | InChIKey=UOHBMRODJBFDPN-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Lithium tert-butoxide None | Legacy Database |
| wikipedia-name | Lithium tert-butoxide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 27.725799999999985 | RDKit |