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Molecule
(3-Chloropropyl)Diethoxymethylsilane
CAS: 13501-76-3 · C8H19ClO2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13501-76-3
- Molecular Formula
- C8H19ClO2Si
- Molecular Mass
- 210.78 g/mol
Identifiers
CAS Registry Number
13501-76-3
SMILES
CCO[Si](C)(CCCCl)OCC
InChI Key
KEZMLECYELSZDC-UHFFFAOYSA-N
InChI
InChI=1S/C8H19ClO2Si/c1-4-10-12(3,11-5-2)8-6-7-9/h4-8H2,1-3H3
Names and Synonyms
- (3-Chloropropyl)Diethoxymethylsilane Synonym
- Silane, (3-chloropropyl)diethoxymethyl- Synonym
- (3-Chloropropyl)diethoxymethylsilane Synonym
- 3-Chloropropylmethyldiethoxysilane Synonym
- (γ-Chloropropyl)diethoxymethylsilane Synonym
- DB 220 Synonym
- YDH 701 Synonym
- FX-M 01868 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 210.78 g/mol | CAS Common Chemistry |
| 210.77699999999996 g/mol | RDKit | |
| 210.777 g/mol | RDKit | |
| 210.774 g/mol | chempirical lib | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9744 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | ClCCC[Si](OCC)(OCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H19ClO2Si/c1-4-10-12(3,11-5-2)8-6-7-9/h4-8H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KEZMLECYELSZDC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3-Chloropropyl)diethoxymethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.760300000000001 | RDKit |
| 2.7603 | RDKit | |
| Molar Refractivity | 55.01400000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 210.08428405799998 g/mol | RDKit |
| Boiling Point | 81-83 °C @ 8 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| 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 = 210.78 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
