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Triethenylmethylsilane
CAS: 18244-95-6 | C7H12Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18244-95-6
Molecular Formula:
C7H12Si
Molecular Weight:
124.25899999999997 g/mol
Names and Synonyms:
Triethenylmethylsilane
Silane, triethenylmethyl-
Silane, methyltrivinyl-
Triethenylmethylsilane
Methyltrivinylsilane
Trivinylmethylsilane
NSC 174168
Identifiers:
SMILES:
C=C[Si](C)(C=C)C=C
InChI:
InChI=1S/C7H12Si/c1-5-8(4,6-2)7-3/h5-7H,1-3H2,4H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 124.25899999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 124.070826914 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.2405999999999997 | RDKit |
| molecular_mass | 124.26 g/mol | Legacy Database |
| density | 0.77 g/cm³ | Legacy Database |
| cas-boiling-point | 102 °C None | Legacy Database |
| cas-canonical-smile | C=C[Si](C=C)(C=C)C None | Legacy Database |
| cas-density | 0.769 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C7H12Si/c1-5-8(4,6-2)7-3/h5-7H,1-3H2,4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=PKRKCDBTXBGLKV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 107.6 °C None | Legacy Database |
| cas-name | Triethenylmethylsilane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 42.20900000000001 | RDKit |
