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Molecule
Trimethylsilyl Cyclopentadiene
CAS: 3559-74-8 · C8H14Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3559-74-8
- Molecular Formula
- C8H14Si
- Molecular Mass
- 138.29 g/mol
Identifiers
CAS Registry Number
3559-74-8
SMILES
C[Si](C)(C)C1C=CC=C1
InChI Key
VMFHCJPMKUTMMQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H14Si/c1-9(2,3)8-6-4-5-7-8/h4-8H,1-3H3
Names and Synonyms
- Trimethylsilyl Cyclopentadiene Common Name
- 1,3-Cyclopentadiene, 5-(trimethylsilyl)- Synonym
- Silane, 2,4-cyclopentadien-1-yltrimethyl- Synonym
- 5-(Trimethylsilyl)-1,3-cyclopentadiene Synonym
- 5-(Trimethylsilyl)cyclopentadiene Synonym
- 1-Trimethylsilyl-2,4-cyclopentadiene Synonym
- 1-(Trimethylsilyl)cyclopentadiene Synonym
- Cyclopentadienyltrimethylsilane Synonym
- NSC 176274 Synonym
- 2,4-Cyclopentadien-1-yltrimethylsilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.29 g/mol | CAS Common Chemistry |
| 138.28599999999997 g/mol | RDKit | |
| 138.286 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8390 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethylsilyl_cyclopentadiene | 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 |
| 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 |
| 2.8208 | RDKit | |
| 2.65 | chempirical lib | |
| Molar Refractivity | 45.37600000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 138.086476978 g/mol | RDKit |
| Boiling Point | 43-44 °C @ 19 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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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.
External Resources
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MW = 138.29 g/mol; density = 0.840 g/mL. Edit any field — others recompute live.
