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Molecule
Epoxycyclohexylethyltrimethoxysilane
CAS: 3388-04-3 · C11H22O4Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3388-04-3
- Molecular Formula
- C11H22O4Si
- Molecular Mass
- 246.38 g/mol
Identifiers
CAS Registry Number
3388-04-3
SMILES
CO[Si](CCC1CCC2OC2C1)(OC)OC
InChI Key
DQZNLOXENNXVAD-UHFFFAOYSA-N
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
Names and Synonyms
- 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
- KH 566 Synonym
- KH 530 Synonym
- DB 186 Synonym
- HK 531 Synonym
- GC 186 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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 246.38 g/mol | CAS Common Chemistry |
| 246.37899999999996 g/mol | RDKit | |
| 246.379 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.065 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O(C)[Si](OC)(OC)CCC1CCC2OC2C1 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=DQZNLOXENNXVAD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Epoxycyclohexylethyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 40.22 Ų | RDKit |
| 36.92 Ų | chempirical lib | |
| LogP | 1.8220999999999998 | RDKit |
| 1.8221 | RDKit | |
| Molar Refractivity | 62.20700000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 246.128735714 g/mol | RDKit |
| Boiling Point | 95-97 °C @ 0.25 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 = 246.38 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
