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Trimethylsilyl Cyclopentadiene
CAS: 3559-74-8 | C8H14Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3559-74-8
Molecular Formula:
C8H14Si
Molecular Weight:
138.28599999999997 g/mol
Names and Synonyms:
Trimethylsilyl Cyclopentadiene
2,4-Cyclopentadien-1-yltrimethylsilane
NSC 176274
Cyclopentadienyltrimethylsilane
1-(Trimethylsilyl)cyclopentadiene
1-Trimethylsilyl-2,4-cyclopentadiene
5-(Trimethylsilyl)cyclopentadiene
5-(Trimethylsilyl)-1,3-cyclopentadiene
Silane, 2,4-cyclopentadien-1-yltrimethyl-
1,3-Cyclopentadiene, 5-(trimethylsilyl)-
Identifiers:
SMILES:
C[Si](C)(C)C1C=CC=C1
InChI:
InChI=1S/C8H14Si/c1-9(2,3)8-6-4-5-7-8/h4-8H,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 |
|---|
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 | 138.28599999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 138.086476978 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 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 | 2.820800000000001 | RDKit |
| molecular_mass | 138.29 g/mol | Legacy Database |
| density | 0.84 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Trimethylsilyl_cyclopentadiene None | Legacy Database |
| cas-boiling-point | 43-44 °C @ Press: 19 Torr None | Legacy Database |
| cas-canonical-smile | C=1C=CC(C1)[Si](C)(C)C None | Legacy Database |
| cas-density | 0.8390 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H14Si/c1-9(2,3)8-6-4-5-7-8/h4-8H,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=VMFHCJPMKUTMMQ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 5-(Trimethylsilyl)-1,3-cyclopentadiene None | Legacy Database |
| wikipedia-name | Trimethylsilyl cyclopentadiene None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 45.37600000000002 | RDKit |
