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(3-Phenylpropyl)Dimethylchlorosilane
CAS: 17146-09-7 | C11H17ClSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17146-09-7
Molecular Formula:
C11H17ClSi
Molecular Mass:
212.80 g/mol
Names and Synonyms:
(3-Phenylpropyl)Dimethylchlorosilane
Benzene, [3-(chlorodimethylsilyl)propyl]-
Silane, chlorodimethyl(3-phenylpropyl)-
[3-(Chlorodimethylsilyl)propyl]benzene
3-(Phenylpropyl)chlorodimethylsilane
(3-Phenylpropyl)dimethylchlorosilane
Identifiers:
SMILES:
C[Si](C)(Cl)CCCc1ccccc1
InChI:
InChI=1S/C11H17ClSi/c1-13(2,12)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3
Key Properties
Boiling Point
75 °C @ Press: 0.5 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 | 212.80 g/mol | CAS Common Chemistry |
| 212.79600000000002 g/mol | RDKit | |
| 212.078804754 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.963 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 75 °C @ Press: 0.5 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](C)(C)CCCC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H17ClSi/c1-13(2,12)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ASSMBLOISZSMMP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3-Phenylpropyl)dimethylchlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.063100000000003 | RDKit |
| Molar Refractivity | 62.905000000000044 | RDKit |
