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Trimethylsilylpropanoic Acid
CAS: 5683-30-7 | C6H14O2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5683-30-7
Molecular Formula:
C6H14O2Si
Molecular Mass:
146.26 g/mol
Names and Synonyms:
Trimethylsilylpropanoic Acid
3-(Trimethylsilanyl)propionic acid
NSC 93018
Propanoic acid, 3-(trimethylsilyl)-
Propionic acid, 3-(trimethylsilyl)-
3-(Trimethylsilyl)propanoic acid
2-Silapentan-5-oic acid, 2,2-dimethyl-
3-(Trimethylsilyl)propionic acid
Identifiers:
SMILES:
C[Si](C)(C)CCC(=O)O
InChI:
InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)
Key Properties
Boiling Point
100 °C @ Press: 6 Torr
CAS Common Chemistry
Melting Point
22 °C
CAS Common Chemistry
Density
0.92 g/cm³
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 | 146.26 g/mol | CAS Common Chemistry |
| 146.262 g/mol | RDKit | |
| 146.07630621799998 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9196 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethylsilylpropanoic_acid | CAS Common Chemistry |
| Boiling Point | 100 °C @ Press: 6 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CC[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=NONFLFDSOSZQHR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 22 °C | CAS Common Chemistry |
| Name | 3-(Trimethylsilyl)propionic acid | CAS Common Chemistry |
| Trimethylsilylpropanoic acid | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.7993 | RDKit |
| Molar Refractivity | 40.405800000000006 | RDKit |
