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Molecule
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 Mass
- 113.19 g/mol
Identifiers
CAS Registry Number
18027-10-6
SMILES
C[Si](C)(C)O.[Na]
InChI Key
VHQSQWCOIYFCCJ-UHFFFAOYSA-N
InChI
InChI=1S/C3H10OSi.Na/c1-5(2,3)4;/h4H,1-3H3;
Names and Synonyms
- Sodium Trimethylsiloxide Synonym
- Silanol, 1,1,1-trimethyl-, sodium salt (1:1) Synonym
- Silanol, trimethyl-, sodium salt Synonym
- Sodium, (trimethylsiloxy)- Synonym
- Sodium trimethylsilanolate Synonym
- Trimethylsilanol sodium salt Synonym
- Sodium trimethylsilanoate Synonym
- Trimethylsilyloxysodium Synonym
- Sodium trimethylsiloxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 113.19 g/mol | CAS Common Chemistry |
| 113.18799999999997 g/mol | RDKit | |
| 113.188 g/mol | RDKit | |
| 114.196 g/mol | chempirical lib | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.255 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_trimethylsiloxide | CAS Common Chemistry |
| Canonical SMILES | [Na].O[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H10OSi.Na/c1-5(2,3)4;/h4H,1-3H3; | CAS Common Chemistry |
| InChI Key | InChIKey=VHQSQWCOIYFCCJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 147-150 °C (decomp) | CAS Common Chemistry |
| Name | Sodium trimethylsilanolate | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 0.4327999999999999 | RDKit |
| 0.4328 | RDKit | |
| Molar Refractivity | 31.318799999999985 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 113.03986075 g/mol | RDKit |
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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Quick conversion
MW = 113.19 g/mol; density = 1.260 g/mL. Edit any field — others recompute live.
