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1,6-Bis(Trimethoxysilyl)Hexane
CAS: 87135-01-1 | C12H30O6Si2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
87135-01-1
Molecular Formula:
C12H30O6Si2
Molecular Mass:
326.54 g/mol
Names and Synonyms:
1,6-Bis(Trimethoxysilyl)Hexane
2,11-Dioxa-3,10-disiladodecane, 3,3,10,10-tetramethoxy-
3,3,10,10-Tetramethoxy-2,11-dioxa-3,10-disiladodecane
1,6-Bis(trimethoxysilyl)hexane
B 2495.7
Z 6830
KBE 6830
KBM 3066
SIB 1832.7
Identifiers:
SMILES:
CO[Si](CCCCCC[Si](OC)(OC)OC)(OC)OC
InChI:
InChI=1S/C12H30O6Si2/c1-13-19(14-2,15-3)11-9-7-8-10-12-20(16-4,17-5)18-6/h7-12H2,1-6H3
Key Properties
Boiling Point
161 °C @ Press: 2 Torr
CAS Common Chemistry
Density
1.01 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 | 326.54 g/mol | CAS Common Chemistry |
| 326.53800000000007 g/mol | RDKit | |
| 326.15809174 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.014 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 161 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(OC)CCCCCC[Si](OC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C12H30O6Si2/c1-13-19(14-2,15-3)11-9-7-8-10-12-20(16-4,17-5)18-6/h7-12H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GFKCWAROGHMSTC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,6-Bis(trimethoxysilyl)hexane | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.38000000000001 Ų | RDKit |
| LogP | 2.303 | RDKit |
| Molar Refractivity | 81.64400000000006 | RDKit |
