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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 Mass:
138.29 g/mol
Names and Synonyms:
Trimethylsilyl Cyclopentadiene
1,3-Cyclopentadiene, 5-(trimethylsilyl)-
Silane, 2,4-cyclopentadien-1-yltrimethyl-
5-(Trimethylsilyl)-1,3-cyclopentadiene
5-(Trimethylsilyl)cyclopentadiene
1-Trimethylsilyl-2,4-cyclopentadiene
1-(Trimethylsilyl)cyclopentadiene
Cyclopentadienyltrimethylsilane
NSC 176274
2,4-Cyclopentadien-1-yltrimethylsilane
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
Key Properties
Boiling Point
43-44 °C @ Press: 19 Torr
CAS Common Chemistry
Density
0.84 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 | 138.29 g/mol | CAS Common Chemistry |
| 138.28599999999997 g/mol | RDKit | |
| 138.086476978 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8390 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethylsilyl_cyclopentadiene | CAS Common Chemistry |
| Boiling Point | 43-44 °C @ Press: 19 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(C1)[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H14Si/c1-9(2,3)8-6-4-5-7-8/h4-8H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VMFHCJPMKUTMMQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 5-(Trimethylsilyl)-1,3-cyclopentadiene | CAS Common Chemistry |
| Trimethylsilyl cyclopentadiene | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.820800000000001 | RDKit |
| Molar Refractivity | 45.37600000000002 | RDKit |
