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Molecule
Tetraethyltin
CAS: 597-64-8 · C8H20Sn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 597-64-8
- Molecular Formula
- C8H20Sn
- Molecular Mass
- 234.96 g/mol
Identifiers
CAS Registry Number
597-64-8
SMILES
[CH2]C.[CH2]C.[CH2]C.[CH2]C.[Sn]
InChI Key
RWWNQEOPUOCKGR-UHFFFAOYSA-N
InChI
InChI=1S/4C2H5.Sn/c4*1-2;/h4*1H2,2H3;
Names and Synonyms
- Tetraethyltin Synonym
- Stannane, tetraethyl- Synonym
- Tetraethylstannane Synonym
- Tetraethyltin Synonym
- NSC 22315 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Melting Point | -112 °C | CAS Common Chemistry |
| Name | Tetraethyltin | CAS Common Chemistry |
| InChI Key | InChIKey=RWWNQEOPUOCKGR-UHFFFAOYSA-N | CAS Common Chemistry |
| Molecular Mass | 234.96 g/mol | CAS Common Chemistry |
| 236.05869533999999 g/mol | RDKit | |
| 234.959 g/mol | RDKit | |
| 236.974 g/mol | chempirical lib | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.199 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetraethyltin | CAS Common Chemistry |
| Canonical SMILES | CC[Sn](CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/4C2H5.Sn/c4*1-2;/h4*1H2,2H3; | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.980760000000002 | RDKit |
| 2.9808 | RDKit | |
| Molar Refractivity | 49.87800000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 234.959 g/mol | RDKit |
| Boiling Point | 181 °C @ 760 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
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MW = 234.96 g/mol; density = 1.200 g/mL. Edit any field — others recompute live.
