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Molecule
1,1-Dichlorosilacyclobutane
CAS: 2351-33-9 · C3H6Cl2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2351-33-9
- Molecular Formula
- C3H6Cl2Si
- Molecular Mass
- 141.07 g/mol
Identifiers
CAS Registry Number
2351-33-9
SMILES
Cl[Si]1(Cl)CCC1
InChI Key
PASYEMKYRSIVTP-UHFFFAOYSA-N
InChI
InChI=1S/C3H6Cl2Si/c4-6(5)2-1-3-6/h1-3H2
Names and Synonyms
- 1,1-Dichlorosilacyclobutane Systematic Name
- Silacyclobutane, 1,1-dichloro- Synonym
- 1,1-Dichlorosilacyclobutane Synonym
- 1,1-Dichloro-1-silacyclobutane Synonym
- Cyclotrimethylenedichlorosilane Synonym
- 1,1-Dichlorosiletane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 141.07 g/mol | CAS Common Chemistry |
| 141.073 g/mol | RDKit | |
| 141.067 g/mol | chempirical lib | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.201 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 113-114 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si]1(Cl)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H6Cl2Si/c4-6(5)2-1-3-6/h1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PASYEMKYRSIVTP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Dichlorosilacyclobutane | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 2.3099 | RDKit |
| Molar Refractivity | 31.690999999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 139.961582082 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 = 141.07 g/mol; density = 1.200 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H6Cl2Si.
