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KH 566
CAS: 3388-04-3 | C11H22O4Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3388-04-3
Molecular Formula:
C11H22O4Si
Molecular Weight:
246.37899999999996 g/mol
Names and Synonyms:
KH 566
Synonym
KH 530
Synonym
DB 186
Synonym
HK 531
Synonym
GC 186
Synonym
Epoxycyclohexylethyltrimethoxysilane
Synonym
7-Oxabicyclo[4.1.0]heptane, 3-[2-(trimethoxysilyl)ethyl]-
Synonym
Silane, trimethoxy[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]-
Synonym
7-Oxabicyclo[4.1.0]heptane, silane deriv.
Synonym
3-[2-(Trimethoxysilyl)ethyl]-7-oxabicyclo[4.1.0]heptane
Synonym
[β-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane
Synonym
3,4-Epoxycyclohexylethyltrimethoxysilane
Synonym
[2-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane
Synonym
4-[2-(Trimethoxysilyl)ethyl]-7-oxabicyclo[4.1.0]heptane
Synonym
Silane A 186
Synonym
UC-A 186
Synonym
Silicone A 186
Synonym
KBM 303
Synonym
A 186 (coupling agent)
Synonym
A 186
Synonym
Y 4086
Synonym
NUCA 186
Synonym
S 530
Synonym
Sila-Ace S 530
Synonym
Silquest A 186
Synonym
E 6250
Synonym
Epoxycyclohexylethyltrimethoxysilane
Synonym
NSC 139838
Synonym
E 6250 (coupling agent)
Synonym
NUC Silicone A 186
Synonym
Z 6043
Synonym
Silwet A 186
Synonym
LS 3990
Synonym
KBE 303
Synonym
A 168
Synonym
Trimethoxy[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]silane
Synonym
(2-(7-Oxabicyclo[4.1.0]heptan-3-yl)ethyl)trimethoxysilane
Synonym
β-(3,4-Epoxycyclohexyl)ethyltrimethoxysiloxane
Synonym
Gelest SIE 4670.0
Synonym
SIE 4670.0
Synonym
2-(3,4-Epoxycyclohexyl)ethyltrimethosilane
Synonym
2-(3,4-Epoxyhexyl)ethyltrimethoxysilane
Synonym
E 0327
Synonym
CG 186
Synonym
AC 67
Synonym
TCI-E 0327
Synonym
Identifiers:
SMILES:
CO[Si](CCC1CCC2OC2C1)(OC)OC
InChI:
InChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 246.38 g/mol | Legacy Database |
| density | 1.07 g/cm³ | Legacy Database |
| cas-boiling-point | 95-97 °C @ Press: 0.25 Torr None | Legacy Database |
| cas-canonical-smile | O(C)[Si](OC)(OC)CCC1CCC2OC2C1 None | Legacy Database |
| cas-density | 1.065 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=DQZNLOXENNXVAD-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Epoxycyclohexylethyltrimethoxysilane None | Legacy Database |
| LogP | 1.8220999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 246.37899999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 246.128735714 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 16 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 40.22 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 62.20700000000005 | RDKit |