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Molecule
Tris(1-Methylethyl)Silyl 2-Propenoate
CAS: 157859-20-6 · C12H24O2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 157859-20-6
- Molecular Formula
- C12H24O2Si
- Molecular Mass
- 228.41 g/mol
Identifiers
CAS Registry Number
157859-20-6
SMILES
C=CC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChI Key
PQSIXYSSKXAOFE-UHFFFAOYSA-N
InChI
InChI=1S/C12H24O2Si/c1-8-12(13)14-15(9(2)3,10(4)5)11(6)7/h8-11H,1H2,2-7H3
Names and Synonyms
- Tris(1-Methylethyl)Silyl 2-Propenoate Synonym
- 2-Propenoic acid, tris(1-methylethyl)silyl ester Synonym
- Tris(1-methylethyl)silyl 2-propenoate Synonym
- Tri(isopropyl)silyl acrylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.41 g/mol | CAS Common Chemistry |
| 228.408 g/mol | RDKit | |
| Canonical SMILES | O=C(O[Si](C(C)C)(C(C)C)C(C)C)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C12H24O2Si/c1-8-12(13)14-15(9(2)3,10(4)5)11(6)7/h8-11H,1H2,2-7H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PQSIXYSSKXAOFE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tris(1-methylethyl)silyl 2-propenoate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 3.8911000000000033 | RDKit |
| 3.8911 | RDKit | |
| 3.94 | chempirical lib | |
| Molar Refractivity | 67.33700000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 228.154556538 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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6
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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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MW = 228.41 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H24O2Si.
