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Molecule
Cyclopentyltrichlorosilane
CAS: 14579-03-4 · C5H9Cl3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14579-03-4
- Molecular Formula
- C5H9Cl3Si
- Molecular Mass
- 203.57 g/mol
Identifiers
CAS Registry Number
14579-03-4
SMILES
Cl[Si](Cl)(Cl)C1CCCC1
InChI Key
FCMZRNUHEXJWGB-UHFFFAOYSA-N
InChI
InChI=1S/C5H9Cl3Si/c6-9(7,8)5-3-1-2-4-5/h5H,1-4H2
Names and Synonyms
- Cyclopentyltrichlorosilane Synonym
- Cyclopentane, (trichlorosilyl)- Synonym
- Silane, trichlorocyclopentyl- Synonym
- (Trichlorosilyl)cyclopentane Synonym
- Cyclopentyltrichlorosilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 203.57 g/mol | CAS Common Chemistry |
| 203.57199999999995 g/mol | RDKit | |
| 203.572 g/mol | RDKit | |
| 203.563 g/mol | chempirical lib | |
| Density | 1.23 g/cm³ | CAS Common Chemistry |
| 1.225 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 178-179 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)C1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H9Cl3Si/c6-9(7,8)5-3-1-2-4-5/h5H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FCMZRNUHEXJWGB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cyclopentyltrichlorosilane | 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 | 3.5859000000000014 | RDKit |
| 3.5859 | RDKit | |
| 3.9 | chempirical lib | |
| Molar Refractivity | 45.53100000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 201.953909858 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 203.57 g/mol; density = 1.230 g/mL. Edit any field — others recompute live.
