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Molecule
Trimethylsilylpropanoic Acid
CAS: 5683-30-7 · C6H14O2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5683-30-7
- Molecular Formula
- C6H14O2Si
- Molecular Mass
- 146.26 g/mol
Identifiers
CAS Registry Number
5683-30-7
SMILES
C[Si](C)(C)CCC(=O)O
InChI Key
NONFLFDSOSZQHR-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)
Names and Synonyms
- Trimethylsilylpropanoic Acid Synonym
- 3-(Trimethylsilanyl)propionic acid Synonym
- NSC 93018 Synonym
- Propanoic acid, 3-(trimethylsilyl)- Synonym
- Propionic acid, 3-(trimethylsilyl)- Synonym
- 3-(Trimethylsilyl)propanoic acid Synonym
- 2-Silapentan-5-oic acid, 2,2-dimethyl- Synonym
- 3-(Trimethylsilyl)propionic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.26 g/mol | CAS Common Chemistry |
| 146.262 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9196 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethylsilylpropanoic_acid | 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 |
| 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 |
| 1.95 | chempirical lib | |
| Molar Refractivity | 40.405800000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 146.07630621799998 g/mol | RDKit |
| Boiling Point | 100 °C @ 6 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 146.26 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14O2Si.
