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Molecule
1,1-Dichlorosilacyclohexane
CAS: 2406-34-0 · C5H10Cl2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2406-34-0
- Molecular Formula
- C5H10Cl2Si
- Molecular Mass
- 169.13 g/mol
Identifiers
CAS Registry Number
2406-34-0
SMILES
Cl[Si]1(Cl)CCCCC1
InChI Key
KPYXTYWOSWVJBL-UHFFFAOYSA-N
InChI
InChI=1S/C5H10Cl2Si/c6-8(7)4-2-1-3-5-8/h1-5H2
Names and Synonyms
- 1,1-Dichlorosilacyclohexane Synonym
- Silacyclohexane, 1,1-dichloro- Synonym
- 1,1-Dichlorosilacyclohexane Synonym
- Cyclopentamethylenedichlorosilane Synonym
- 1,1-Dichloro-1-silacyclohexane Synonym
- NSC 139832 Synonym
- 1,1-Dichlorosilinane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.13 g/mol | CAS Common Chemistry |
| 169.12699999999998 g/mol | RDKit | |
| 169.127 g/mol | RDKit | |
| 169.121 g/mol | chempirical lib | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.1668 g/cm3 @ 10.1 °C | CAS Common Chemistry | |
| Canonical SMILES | Cl[Si]1(Cl)CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H10Cl2Si/c6-8(7)4-2-1-3-5-8/h1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KPYXTYWOSWVJBL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Dichlorosilacyclohexane | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.0901000000000014 | RDKit |
| 3.0901 | RDKit | |
| 3.33 | chempirical lib | |
| Molar Refractivity | 40.92500000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 167.99288221 g/mol | RDKit |
| Boiling Point | 169.5-170.5 °C @ 751 Torr | CAS Common Chemistry |
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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Quick conversion
MW = 169.13 g/mol; density = 1.170 g/mL. Edit any field — others recompute live.
