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Molecule
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 Mass
- 67.04 g/mol
Identifiers
CAS Registry Number
2388-10-5
SMILES
CC(C)O.[Li]
InChI Key
DSYMXZVSQXRRFO-UHFFFAOYSA-N
InChI
InChI=1S/C3H8O.Li/c1-3(2)4;/h3-4H,1-2H3;
Names and Synonyms
- Lithium Isopropoxide Common Name
- 2-Propanol, lithium salt (1:1) Synonym
- Isopropyl alcohol, lithium salt Synonym
- Lithium isopropoxide Synonym
- 2-Propanol, lithium salt Synonym
- Lithium isopropylate Synonym
- Isopropanol lithium salt Synonym
- Isopropoxylithium Synonym
- Lithium isopropanolate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 67.04 g/mol | CAS Common Chemistry |
| 67.073519426 g/mol | RDKit | |
| 67.037 g/mol | RDKit | |
| 68.045 g/mol | chempirical lib | |
| Canonical SMILES | [Li].OC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H8O.Li/c1-3(2)4;/h3-4H,1-2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=DSYMXZVSQXRRFO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lithium isopropoxide | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 0.006300000000000028 | RDKit |
| 0.0063 | RDKit | |
| Molar Refractivity | 23.10879999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 67.037 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 67.04 g/mol. Edit any field — others recompute live.
