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Molecule
(3-Chloropropyl)Dimethoxymethylsilane
CAS: 18171-19-2 · C6H15ClO2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18171-19-2
- Molecular Formula
- C6H15ClO2Si
- Molecular Mass
- 182.72 g/mol
Identifiers
CAS Registry Number
18171-19-2
SMILES
CO[Si](C)(CCCCl)OC
InChI Key
KNTKCYKJRSMRMZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H15ClO2Si/c1-8-10(3,9-2)6-4-5-7/h4-6H2,1-3H3
Names and Synonyms
- (3-Chloropropyl)Dimethoxymethylsilane Synonym
- Silane, (3-chloropropyl)dimethoxymethyl- Synonym
- (3-Chloropropyl)dimethoxymethylsilane Synonym
- (γ-Chloropropyl)dimethoxymethylsilane Synonym
- (3-Chloropropyl)methyldimethoxysilane Synonym
- (γ-Chloropropyl)methyldimethoxysilane Synonym
- Sila-Ace S 610 Synonym
- (α-Chloropropyl)(dimethoxymethyl)silane Synonym
- Dimethoxymethyl(3-chloropropyl)silane Synonym
- SIC 2355 Synonym
- DB 221 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.72 g/mol | CAS Common Chemistry |
| 182.723 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.025 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | ClCCC[Si](OC)(OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H15ClO2Si/c1-8-10(3,9-2)6-4-5-7/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KNTKCYKJRSMRMZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3-Chloropropyl)dimethoxymethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 1.9801 | RDKit |
| Molar Refractivity | 45.78000000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 182.05298392999998 g/mol | RDKit |
| Boiling Point | 70-72 °C @ 11 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 182.72 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15ClO2Si.
