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Molecule
Nonafluorohexyltrimethoxysilane
CAS: 85877-79-8 · C9H13F9O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 85877-79-8
- Molecular Formula
- C9H13F9O3Si
- Molecular Mass
- 368.27 g/mol
Identifiers
CAS Registry Number
85877-79-8
SMILES
CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC
InChI Key
IJROHELDTBDTPH-UHFFFAOYSA-N
InChI
InChI=1S/C9H13F9O3Si/c1-19-22(20-2,21-3)5-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h4-5H2,1-3H3
Names and Synonyms
- Nonafluorohexyltrimethoxysilane Common Name
- Silane, trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)- Synonym
- Trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane Synonym
- Trimethoxy-2-perfluorobutylethylsilane Synonym
- 3,3,4,4,5,5,6,6,6-Nonafluorohexyltrimethoxysilane Synonym
- Nonafluoro-1,1,2,2-tetrahydrohexyltrimethoxysilane Synonym
- 1,1,2,2-Tetrahydroperfluorohexyltrimethoxysilane Synonym
- Dow Corning B 3958 Synonym
- Nonafluorobutylethyltrimethoxysilane Synonym
- (1,1,2,2-Tetrahydrononafluorohexyl)trimethoxysilane Synonym
- Nonafluorohexyltrimethoxysilane Synonym
- 2-Perfluorobutylethyltrimethoxysilane Synonym
- Trimethoxy(1H,1H,2H,2H-nonafluorohexyl)silane Synonym
- T 2918 Synonym
- FAS 9E Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 368.27 g/mol | CAS Common Chemistry |
| 368.26800000000003 g/mol | RDKit | |
| 368.268 g/mol | RDKit | |
| Density | 1.34 g/cm³ | CAS Common Chemistry |
| 1.335 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C9H13F9O3Si/c1-19-22(20-2,21-3)5-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IJROHELDTBDTPH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Nonafluorohexyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 3.722800000000002 | RDKit |
| 3.7228 | RDKit | |
| Molar Refractivity | 57.10100000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 368.04902478599996 g/mol | RDKit |
| Boiling Point | 68-69 °C @ 15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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.
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MW = 368.27 g/mol; density = 1.340 g/mL. Edit any field — others recompute live.
