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Lithium Isopropoxide
CAS: 2388-10-5 | C3H8LiO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2388-10-5
Molecular Formula:
C3H8LiO
Molecular Weight:
67.037 g/mol
Names and Synonyms:
Lithium Isopropoxide
Common Name
Lithium isopropanolate
Synonym
Isopropoxylithium
Synonym
Isopropanol lithium salt
Synonym
Lithium isopropylate
Synonym
2-Propanol, lithium salt
Synonym
Lithium isopropoxide
Synonym
Isopropyl alcohol, lithium salt
Synonym
2-Propanol, lithium salt (1:1)
Synonym
Identifiers:
SMILES:
CC(C)O.[Li]
InChI:
InChI=1S/C3H8O.Li/c1-3(2)4;/h3-4H,1-2H3;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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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 | 67.037 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 67.073519426 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 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 | 0.006300000000000028 | RDKit |
| molecular_mass | 67.04 g/mol | Legacy Database |
| cas-canonical-smile | [Li].OC(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C3H8O.Li/c1-3(2)4;/h3-4H,1-2H3; None | Legacy Database |
| cas-inchi-key | InChIKey=DSYMXZVSQXRRFO-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Lithium isopropoxide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.10879999999999 | RDKit |