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Sodium Trimethylsiloxide
CAS: 18027-10-6 | C3H10NaOSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18027-10-6
Molecular Formula:
C3H10NaOSi
Molecular Weight:
113.18799999999997 g/mol
Names and Synonyms:
Sodium Trimethylsiloxide
Silanol, 1,1,1-trimethyl-, sodium salt (1:1)
Silanol, trimethyl-, sodium salt
Sodium, (trimethylsiloxy)-
Sodium trimethylsilanolate
Trimethylsilanol sodium salt
Sodium trimethylsilanoate
Trimethylsilyloxysodium
Sodium trimethylsiloxide
Identifiers:
SMILES:
C[Si](C)(C)O.[Na]
InChI:
InChI=1S/C3H10OSi.Na/c1-5(2,3)4;/h4H,1-3H3;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 113.19 g/mol | Legacy Database |
| density | 1.26 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Sodium_trimethylsiloxide None | Legacy Database |
| cas-canonical-smile | [Na].O[Si](C)(C)C None | Legacy Database |
| cas-density | 1.255 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C3H10OSi.Na/c1-5(2,3)4;/h4H,1-3H3; None | Legacy Database |
| cas-inchi-key | InChIKey=VHQSQWCOIYFCCJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 147-150 °C (decomp) None | Legacy Database |
| cas-name | Sodium trimethylsilanolate None | Legacy Database |
| wikipedia-name | Sodium trimethylsiloxide None | Legacy Database |
| LogP | 0.4327999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 113.18799999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 113.03986075 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.318799999999985 | RDKit |
