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Molecule
Decyltrichlorosilane
CAS: 13829-21-5 · C10H21Cl3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13829-21-5
- Molecular Formula
- C10H21Cl3Si
- Molecular Mass
- 275.72 g/mol
Identifiers
CAS Registry Number
13829-21-5
SMILES
CCCCCCCCCC[Si](Cl)(Cl)Cl
InChI Key
HLWCOIUDOLYBGD-UHFFFAOYSA-N
InChI
InChI=1S/C10H21Cl3Si/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3
Names and Synonyms
- Decyltrichlorosilane Synonym
- Silane, trichlorodecyl- Synonym
- Trichlorodecylsilane Synonym
- Decyltrichlorosilane Synonym
- n-Decyltrichlorosilane Synonym
- Trichloro(decyl)silane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 275.72 g/mol | CAS Common Chemistry |
| 275.72299999999996 g/mol | RDKit | |
| 275.723 g/mol | RDKit | |
| 275.714 g/mol | chempirical lib | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.054 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl[Si](Cl)(Cl)CCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H21Cl3Si/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HLWCOIUDOLYBGD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Decyltrichlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.782400000000004 | RDKit |
| 5.7824 | RDKit | |
| 6.09 | chempirical lib | |
| Molar Refractivity | 70.73000000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 274.047810242 g/mol | RDKit |
| Boiling Point | 133-137 °C @ 5 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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MW = 275.72 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
