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2,2,4-Trimethyl-1-Oxa-4-Aza-2-Silacyclohexane
CAS: 10196-49-3 | C6H15NOSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10196-49-3
Molecular Formula:
C6H15NOSi
Molecular Weight:
145.278 g/mol
Names and Synonyms:
2,2,4-Trimethyl-1-Oxa-4-Aza-2-Silacyclohexane
2,2,4-Trimethyl-2-silamorpholine
2,2,4-Trimethyl-1,4,2-oxazasilinane
2,2,4-Trimethyl-1-oxa-4-aza-2-silacyclohexane
1-Oxa-4-aza-2-silacyclohexane, 2,2,4-trimethyl-
Identifiers:
SMILES:
CN1CCO[Si](C)(C)C1
InChI:
InChI=1S/C6H15NOSi/c1-7-4-5-8-9(2,3)6-7/h4-6H2,1-3H3
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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 145.278 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 145.09229063 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.47 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.6926999999999999 | RDKit |
| molecular_mass | 145.28 g/mol | Legacy Database |
| cas-boiling-point | 28 °C @ Press: 1 Torr None | Legacy Database |
| cas-canonical-smile | O1CCN(C)C[Si]1(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C6H15NOSi/c1-7-4-5-8-9(2,3)6-7/h4-6H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=GGPLWEZGITVTJX-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2,2,4-Trimethyl-1-oxa-4-aza-2-silacyclohexane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.93100000000001 | RDKit |
