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Molecule
Dodecyltriethoxysilane
CAS: 18536-91-9 · C18H40O3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18536-91-9
- Molecular Formula
- C18H40O3Si
- Molecular Mass
- 332.60 g/mol
Identifiers
CAS Registry Number
18536-91-9
SMILES
CCCCCCCCCCCC[Si](OCC)(OCC)OCC
InChI Key
YGUFXEJWPRRAEK-UHFFFAOYSA-N
InChI
InChI=1S/C18H40O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-22(19-6-2,20-7-3)21-8-4/h5-18H2,1-4H3
Names and Synonyms
- Dodecyltriethoxysilane Common Name
- Silane, dodecyltriethoxy- Synonym
- Dodecyltriethoxysilane Synonym
- 1-(Triethoxysilyl)dodecane Synonym
- Triethoxydodecylsilane Synonym
- LS 6570 Synonym
- NSC 139837 Synonym
- n-Dodecyltriethoxysilane Synonym
- S 08550 Synonym
- D 3383 Synonym
- KH 3041 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 332.60 g/mol | CAS Common Chemistry |
| 332.6010000000001 g/mol | RDKit | |
| 332.601 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.884 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H40O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-22(19-6-2,20-7-3)21-8-4/h5-18H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YGUFXEJWPRRAEK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dodecyltriethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 5.955700000000006 | RDKit |
| 5.9557 | RDKit | |
| Molar Refractivity | 97.28300000000009 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 332.27467167 g/mol | RDKit |
| Boiling Point | 152-153 °C @ 3 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 |
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200 ppm
180
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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 = 332.60 g/mol; density = 0.880 g/mL. Edit any field — others recompute live.
