Back to Search
(Trimethylsilyl)Acetic Acid
CAS: 2345-38-2 | C5H12O2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2345-38-2
Molecular Formula:
C5H12O2Si
Molecular Mass:
132.23 g/mol
Names and Synonyms:
(Trimethylsilyl)Acetic Acid
Acetic acid, 2-(trimethylsilyl)-
Acetic acid, (trimethylsilyl)-
2-(Trimethylsilyl)acetic acid
(Trimethylsilyl)acetic acid
Identifiers:
SMILES:
C[Si](C)(C)CC(=O)O
InChI:
InChI=1S/C5H12O2Si/c1-8(2,3)4-5(6)7/h4H2,1-3H3,(H,6,7)
Key Properties
Boiling Point
90-905 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
40-42 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.23 g/mol | CAS Common Chemistry |
| 132.23499999999999 g/mol | RDKit | |
| 132.06065615400001 g/mol | RDKit | |
| Boiling Point | 90-905 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H12O2Si/c1-8(2,3)4-5(6)7/h4H2,1-3H3,(H,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=JDMMZVAKMAONFU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 40-42 °C | CAS Common Chemistry |
| Name | (Trimethylsilyl)acetic acid | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.4092 | RDKit |
| Molar Refractivity | 35.78879999999999 | RDKit |
