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Molecule
Trichlorododecylsilane
CAS: 4484-72-4 · C12H25Cl3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4484-72-4
- Molecular Formula
- C12H25Cl3Si
- Molecular Mass
- 303.78 g/mol
Identifiers
CAS Registry Number
4484-72-4
SMILES
CCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChI Key
BNCXNUWGWUZTCN-UHFFFAOYSA-N
InChI
InChI=1S/C12H25Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3
Names and Synonyms
- Trichlorododecylsilane Common Name
- Silane, trichlorododecyl- Synonym
- Trichlorododecylsilane Synonym
- Dodecyltrichlorosilane Synonym
- NSC 139836 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 303.78 g/mol | CAS Common Chemistry |
| 303.77699999999993 g/mol | RDKit | |
| 303.777 g/mol | RDKit | |
| 303.768 g/mol | chempirical lib | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.026 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 288 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H25Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BNCXNUWGWUZTCN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -30 °C | CAS Common Chemistry |
| Name | Trichlorododecylsilane | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.562600000000005 | RDKit |
| 6.5626 | RDKit | |
| 6.87 | chempirical lib | |
| Molar Refractivity | 79.96400000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 302.07911037 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 303.78 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
