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Molecule
Tris[3-(Trimethoxysilyl)Propyl] Isocyanurate
CAS: 26115-70-8 · C21H45N3O12Si3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 26115-70-8
- Molecular Formula
- C21H45N3O12Si3
- Molecular Mass
- 615.86 g/mol
Identifiers
CAS Registry Number
26115-70-8
SMILES
CO[Si](CCCn1c(=O)n(CCC[Si](OC)(OC)OC)c(=O)n(CCC[Si](OC)(OC)OC)c1=O)(OC)OC
InChI Key
QWOVEJBDMKHZQK-UHFFFAOYSA-N
InChI
InChI=1S/C21H45N3O12Si3/c1-28-37(29-2,30-3)16-10-13-22-19(25)23(14-11-17-38(31-4,32-5)33-6)21(27)24(20(22)26)15-12-18-39(34-7,35-8)36-9/h10-18H2,1-9H3
Names and Synonyms
- Tris[3-(Trimethoxysilyl)Propyl] Isocyanurate Synonym
- 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[3-(trimethoxysilyl)propyl]- Synonym
- s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[3-(trimethoxysilyl)propyl]- Synonym
- 1,3,5-Tris[3-(trimethoxysilyl)propyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione Synonym
- 1,3,5-Tris[3-(trimethoxysilyl)propyl]isocyanurate Synonym
- Tris[(trimethoxysilyl)propyl]isocyanurate Synonym
- 1,3,5-Tris(trimethoxysilylpropyl) isocyanurate Synonym
- Tris[3-(trimethoxysilyl)propyl] isocyanurate Synonym
- Degussa 153 Synonym
- Silquest Y 11597 Synonym
- Y 11597 Synonym
- Silquest Y 11570 Synonym
- NUC Silicone Y 11597 Synonym
- A-Link 597 Synonym
- X 12-965 Synonym
- 2,4,6-Tris[3-(trimethoxysilyl)propyl] isocyanurate Synonym
- Tris(3-trimethoxysilylpropyl)cyclotriisocyanurate Synonym
- Silquest A-Link 597 Synonym
- KBM 9659 Synonym
- Geniosil GF 69 Synonym
- 1,3,5-N-Tris[3-(trimethoxysilyl)propyl] isocyanurate Synonym
- Silquest Y 19020 Silane Synonym
- Silquest Y 19020 Synonym
- Dynasylan VPS 7161 Synonym
- 1,3,5-Tris(3-trimethoxysilylpropyl)-1,3,5-triazinane-2,4,6-trione Synonym
- Silquest A 597 Synonym
- SIT 8717.0 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 615.86 g/mol | CAS Common Chemistry |
| 615.8580000000004 g/mol | RDKit | |
| 615.858 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.170 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C1N(C(=O)N(C(=O)N1CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C21H45N3O12Si3/c1-28-37(29-2,30-3)16-10-13-22-19(25)23(14-11-17-38(31-4,32-5)33-6)21(27)24(20(22)26)15-12-18-39(34-7,35-8)36-9/h10-18H2,1-9H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QWOVEJBDMKHZQK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tris[3-(trimethoxysilyl)propyl] isocyanurate | CAS Common Chemistry |
| Heavy Atom Count | 39 | RDKit |
| Hydrogen Bond Acceptors | 15 | RDKit |
| 12 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 21 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 149.07000000000002 Ų | RDKit |
| 149.07 Ų | RDKit | |
| LogP | -0.023699999999993837 | RDKit |
| -0.0237 | RDKit | |
| Molar Refractivity | 147.8369999999998 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 615.23110347 g/mol | RDKit |
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 |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 615.86 g/mol; density = 1.170 g/mL. Edit any field — others recompute live.
