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Molecule
(3-Bromopropyl)Trimethoxysilane
CAS: 51826-90-5 · C6H15BrO3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 51826-90-5
- Molecular Formula
- C6H15BrO3Si
- Molecular Mass
- 243.17 g/mol
Identifiers
CAS Registry Number
51826-90-5
SMILES
CO[Si](CCCBr)(OC)OC
InChI Key
GLISZRPOUBOZDL-UHFFFAOYSA-N
InChI
InChI=1S/C6H15BrO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3
Names and Synonyms
- (3-Bromopropyl)Trimethoxysilane Common Name
- Silane, (3-bromopropyl)trimethoxy- Synonym
- (3-Bromopropyl)trimethoxysilane Synonym
- 1-Bromo-3-trimethoxysilylpropane Synonym
- γ-Bromopropyltrimethoxysilane Synonym
- SIB 1906.0 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 243.17 g/mol | CAS Common Chemistry |
| 243.173 g/mol | RDKit | |
| Density | 1.29 g/cm³ | CAS Common Chemistry |
| 1.293 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | BrCCC[Si](OC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C6H15BrO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GLISZRPOUBOZDL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3-Bromopropyl)trimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.6495 | RDKit |
| Molar Refractivity | 49.99900000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 241.99738297000002 g/mol | RDKit |
| Boiling Point | 130 °C @ 45 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 243.17 g/mol; density = 1.290 g/mL. Edit any field — others recompute live.
