Back to Search
Molecule
Tridecafluorooctyltrimethoxysilane
CAS: 85857-16-5 · C11H13F13O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 85857-16-5
- Molecular Formula
- C11H13F13O3Si
- Molecular Mass
- 468.28 g/mol
Identifiers
CAS Registry Number
85857-16-5
SMILES
CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC
InChI Key
BVQYIDJXNYHKRK-UHFFFAOYSA-N
InChI
InChI=1S/C11H13F13O3Si/c1-25-28(26-2,27-3)5-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5H2,1-3H3
Names and Synonyms
- Tridecafluorooctyltrimethoxysilane Common Name
- Silane, trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)- Synonym
- Trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane Synonym
- Tridecafluorooctyltrimethoxysilane Synonym
- 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyltrimethoxysilane Synonym
- (1H,1H,2H,2H-Perfluorooctyl)trimethoxysilane Synonym
- VPS 8161 Synonym
- [2-(Perfluorohexyl)ethyl]trimethoxysilane Synonym
- Dynasylan F 8161 Synonym
- Tridecafluoro-1,1,2,2-tetrahydrooctyltrimethoxysilane Synonym
- TSL 8257 Synonym
- F 13TMS Synonym
- SIT 8176.0 Synonym
- KBM 7603 Synonym
- Actyflon G 607 Synonym
- (Tridecafluoro-1,2,2,2-tetrahydrooctyl)-trimethoxy silane Synonym
- SiSiB PC 9757 Synonym
- DMT 13 Synonym
- KH 1331 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 468.28 g/mol | CAS Common Chemistry |
| 468.28200000000004 g/mol | RDKit | |
| 468.282 g/mol | RDKit | |
| Density | 1.44 g/cm³ | CAS Common Chemistry |
| 1.44 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C11H13F13O3Si/c1-25-28(26-2,27-3)5-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BVQYIDJXNYHKRK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tridecafluorooctyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 4.993400000000002 | RDKit |
| 4.9934 | RDKit | |
| Molar Refractivity | 66.99500000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 468.04263766599996 g/mol | RDKit |
| Boiling Point | 60-62 °C @ 0.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
External Resources
Convert
Quick conversion
MW = 468.28 g/mol; density = 1.440 g/mL. Edit any field — others recompute live.
