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(Dodecyl)(Methyl)Dichlorosilane
CAS: 18407-07-3 | C13H28Cl2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18407-07-3
Molecular Formula:
C13H28Cl2Si
Molecular Mass:
283.36 g/mol
Names and Synonyms:
(Dodecyl)(Methyl)Dichlorosilane
Silane, dichlorododecylmethyl-
Dichlorododecylmethylsilane
Dichloro(dodecyl)methylsilane
(Dodecyl)(methyl)dichlorosilane
Identifiers:
SMILES:
CCCCCCCCCCCC[Si](C)(Cl)Cl
InChI:
InChI=1S/C13H28Cl2Si/c1-3-4-5-6-7-8-9-10-11-12-13-16(2,14)15/h3-13H2,1-2H3
Key Properties
Boiling Point
124-127 °C @ Press: 3 Torr
CAS Common Chemistry
Density
0.96 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 283.36 g/mol | CAS Common Chemistry |
| 283.3589999999999 g/mol | RDKit | |
| 282.133732786 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.955 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 124-127 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(C)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C13H28Cl2Si/c1-3-4-5-6-7-8-9-10-11-12-13-16(2,14)15/h3-13H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZAADUWCLWTWDSZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Dodecyl)(methyl)dichlorosilane | 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 | 6.456900000000005 | RDKit |
| Molar Refractivity | 79.97500000000007 | RDKit |
