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Molecule
Isobutyltrimethoxysilane
CAS: 18395-30-7 · C7H18O3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18395-30-7
- Molecular Formula
- C7H18O3Si
- Molecular Mass
- 178.30 g/mol
Identifiers
CAS Registry Number
18395-30-7
SMILES
CO[Si](CC(C)C)(OC)OC
InChI Key
XYJRNCYWTVGEEG-UHFFFAOYSA-N
InChI
InChI=1S/C7H18O3Si/c1-7(2)6-11(8-3,9-4)10-5/h7H,6H2,1-5H3
Names and Synonyms
- Isobutyltrimethoxysilane Common Name
- Silane, trimethoxy(2-methylpropyl)- Synonym
- Silane, isobutyltrimethoxy- Synonym
- Trimethoxy(2-methylpropyl)silane Synonym
- Isobutyltrimethoxysilane Synonym
- Dynasylan BSM 40 Synonym
- Prosil 178 Synonym
- Dynasylan BSM 40N Synonym
- SS 1120 Synonym
- Dynasylan IBT-MO Synonym
- Silquest I 7810 Synonym
- Z 2306 Synonym
- AY 43-048 Synonym
- Isobutyltrimethoxylsilane Synonym
- OFS 2306 Synonym
- Sil-Act ATS 100 Synonym
- Xiameter OFS 2306 Synonym
- CG 8430 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 178.30 g/mol | CAS Common Chemistry |
| 178.30399999999997 g/mol | RDKit | |
| 178.304 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.933 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 154 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(OC)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H18O3Si/c1-7(2)6-11(8-3,9-4)10-5/h7H,6H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XYJRNCYWTVGEEG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Isobutyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.5204999999999997 | RDKit |
| 1.5205 | RDKit | |
| Molar Refractivity | 46.42600000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 178.10252096600001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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 = 178.30 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H18O3Si.
