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Molecule
Tetrabutoxysilane
CAS: 4766-57-8 · C16H36O4Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4766-57-8
- Molecular Formula
- C16H36O4Si
- Molecular Mass
- 320.55 g/mol
Identifiers
CAS Registry Number
4766-57-8
SMILES
CCCCO[Si](OCCCC)(OCCCC)OCCCC
InChI Key
UQMOLLPKNHFRAC-UHFFFAOYSA-N
InChI
InChI=1S/C16H36O4Si/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3
Names and Synonyms
- Tetrabutoxysilane Synonym
- Silicic acid (H4SiO4), tetrabutyl ester Synonym
- Butyl silicate ((BuO)4Si) Synonym
- Silane, tetrabutoxy- Synonym
- Tetrabutoxysilane Synonym
- Tetra-n-butoxysilane Synonym
- Silicon tetrabutoxide Synonym
- Tetrabutyl orthosilicate Synonym
- Tetrabutyl silicate Synonym
- Silicon butoxide Synonym
- MKC Silicate BTS Synonym
- NSC 89762 Synonym
- Butyl orthosilicate Synonym
- TBOS Synonym
- TBOS (silicate) Synonym
- Tetrabuthyl orthosilicate Synonym
- T 1126 Synonym
- Tetra-n-butyl orthosilicate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 320.55 g/mol | CAS Common Chemistry |
| 320.54600000000005 g/mol | RDKit | |
| 320.546 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.899 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O(CCCC)[Si](OCCCC)(OCCCC)OCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H36O4Si/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UQMOLLPKNHFRAC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-80 °C | CAS Common Chemistry |
| Name | Tetrabutoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 4.688800000000005 | RDKit |
| 4.6888 | RDKit | |
| Molar Refractivity | 89.19400000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 320.238286162 g/mol | RDKit |
| Boiling Point | 115 °C @ 3 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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| 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 = 320.55 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
