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Molecule
Dodecyltrimethoxysilane
CAS: 3069-21-4 · C15H34O3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3069-21-4
- Molecular Formula
- C15H34O3Si
- Molecular Mass
- 290.52 g/mol
Identifiers
CAS Registry Number
3069-21-4
SMILES
CCCCCCCCCCCC[Si](OC)(OC)OC
InChI Key
SCPWMSBAGXEGPW-UHFFFAOYSA-N
InChI
InChI=1S/C15H34O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-2,17-3)18-4/h5-15H2,1-4H3
Names and Synonyms
- Dodecyltrimethoxysilane Synonym
- Silane, dodecyltrimethoxy- Synonym
- Dodecyltrimethoxysilane Synonym
- Trimethoxydodecylsilane Synonym
- JH-N 3112 Synonym
- Lauryltrimethoxysilane Synonym
- WD 10 Synonym
- n-Dodecyltrimethoxysilane Synonym
- N 3112 Synonym
- SID 4635.0 Synonym
- KH 3112 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 290.52 g/mol | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(OC)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C15H34O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-2,17-3)18-4/h5-15H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SCPWMSBAGXEGPW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dodecyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 4.7854000000000045 | RDKit |
| 4.7854 | RDKit | |
| Molar Refractivity | 83.43200000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 290.22772147800003 g/mol | RDKit |
| Boiling Point | 117-118 °C @ 1.25 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
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 = 290.52 g/mol. Edit any field — others recompute live.
