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Molecule
Dichlorodioctylsilane
CAS: 18416-07-4 · C16H34Cl2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18416-07-4
- Molecular Formula
- C16H34Cl2Si
- Molecular Mass
- 325.44 g/mol
Identifiers
CAS Registry Number
18416-07-4
SMILES
CCCCCCCC[Si](Cl)(Cl)CCCCCCCC
InChI Key
CVAGYCLEIYGJQT-UHFFFAOYSA-N
InChI
InChI=1S/C16H34Cl2Si/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
Names and Synonyms
- Dichlorodioctylsilane Common Name
- Silane, dichlorodioctyl- Synonym
- Dichlorodioctylsilane Synonym
- Dioctyldichlorosilane Synonym
- NSC 65458 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 325.44 g/mol | CAS Common Chemistry |
| 325.44000000000017 g/mol | RDKit | |
| 325.434 g/mol | chempirical lib | |
| Canonical SMILES | Cl[Si](Cl)(CCCCCCCC)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H34Cl2Si/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CVAGYCLEIYGJQT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dichlorodioctylsilane | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 7.627200000000006 | RDKit |
| 7.6272 | RDKit | |
| 7.87 | chempirical lib | |
| Molar Refractivity | 93.82600000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 324.180682978 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 = 325.44 g/mol. Edit any field — others recompute live.
