Back to Search
Methyl 3-[(Trimethylsilyl)Oxy]-2-Butenoate
CAS: 62269-44-7 | C8H16O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
62269-44-7
Molecular Formula:
C8H16O3Si
Molecular Mass:
188.30 g/mol
Names and Synonyms:
Methyl 3-[(Trimethylsilyl)Oxy]-2-Butenoate
2-Butenoic acid, 3-[(trimethylsilyl)oxy]-, methyl ester
Methyl 3-[(trimethylsilyl)oxy]-2-butenoate
Methyl 3-(trimethylsiloxy)-2-butenoate
Methyl (Z/E)-3-((trimethylsilyl)oxy)but-2-enoate
Identifiers:
SMILES:
COC(=O)C=C(C)O[Si](C)(C)C
InChI:
InChI=1S/C8H16O3Si/c1-7(6-8(9)10-2)11-12(3,4)5/h6H,1-5H3
Key Properties
Boiling Point
57-59 °C @ Press: 9 Torr
CAS Common Chemistry
Density
0.94 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 | 188.30 g/mol | CAS Common Chemistry |
| 188.29899999999998 g/mol | RDKit | |
| 188.086870902 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.939 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 57-59 °C @ Press: 9 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)C=C(O[Si](C)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O3Si/c1-7(6-8(9)10-2)11-12(3,4)5/h6H,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OQNKCUVOGBTGDJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methyl 3-[(trimethylsilyl)oxy]-2-butenoate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 1.9146999999999998 | RDKit |
| Molar Refractivity | 50.204000000000036 | RDKit |
