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Heptadecafluorodecyltrimethoxysilane
CAS: 83048-65-1 | C13H13F17O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
83048-65-1
Molecular Formula:
C13H13F17O3Si
Molecular Mass:
568.30 g/mol
Names and Synonyms:
Heptadecafluorodecyltrimethoxysilane
Silane, (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)trimethoxy-
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)trimethoxysilane
LP 8T
KBM 7803
TSL 8233
Heptadecafluorodecyltrimethoxysilane
XC 95-470
2-Perfluorooctylethyltrimethoxysilane
2-Heptadecafluorooctylethyltrimethoxysilane
XC 98A5382
(Heptadecafluoro-1,1,2,2-tetrahydrodecyl)trimethoxysilane
TSLB 8233
1H,1H,2H,2H-Perfluorodecyltrimethoxysilane
FAS 17
1,1,2,2-Tetrahydroperfluorodecyltrimethoxysilane
SG-SiF 17
LS 4875
Trimethoxy(1H,1H,2H,2H-heptadecafluorodecyl)silane
SIH 5841.5
(Heptadecafluoro-1,1,2,2-tetradecyl)trimethoxysilane
Hetadecafluoro-1,1,2,2-tetrahydrodecyltrimethoxysilane
WS 1160
DMT 17
SiSiB PC 9751
T 2917
Identifiers:
SMILES:
CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC
InChI:
InChI=1S/C13H13F17O3Si/c1-31-34(32-2,33-3)5-4-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h4-5H2,1-3H3
Key Properties
Boiling Point
247 °C
CAS Common Chemistry
Density
1.54 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 568.30 g/mol | CAS Common Chemistry |
| 568.2959999999999 g/mol | RDKit | |
| 568.036250546 g/mol | RDKit | |
| Density | 1.54 g/cm³ | CAS Common Chemistry |
| 1.54 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 247 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(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/C13H13F17O3Si/c1-31-34(32-2,33-3)5-4-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HJIMAFKWSKZMBK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Heptadecafluorodecyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 6.264000000000005 | RDKit |
| Molar Refractivity | 76.88900000000001 | RDKit |
