Back to Search
Tris(1-Methylethyl)Silyl 2-Propenoate
CAS: 157859-20-6 | C12H24O2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
157859-20-6
Molecular Formula:
C12H24O2Si
Molecular Mass:
228.41 g/mol
Names and Synonyms:
Tris(1-Methylethyl)Silyl 2-Propenoate
2-Propenoic acid, tris(1-methylethyl)silyl ester
Tris(1-methylethyl)silyl 2-propenoate
Tri(isopropyl)silyl acrylate
Identifiers:
SMILES:
C=CC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChI:
InChI=1S/C12H24O2Si/c1-8-12(13)14-15(9(2)3,10(4)5)11(6)7/h8-11H,1H2,2-7H3
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 | 228.41 g/mol | CAS Common Chemistry |
| 228.408 g/mol | RDKit | |
| 228.154556538 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 |
| Molar Refractivity | 67.33700000000005 | RDKit |
