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2-(2-Ethoxyethoxy)-2-Methylpropane
CAS: 51422-54-9 | C8H18O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51422-54-9
Molecular Formula:
C8H18O2
Molecular Weight:
146.23 g/mol
Names and Synonyms:
2-(2-Ethoxyethoxy)-2-Methylpropane
Ethylene glycol ethyl tert-butyl ether
CMX
Additive CMX
1-Ethoxy-2-tert-butoxyethane
1-tert-Butoxy-2-ethoxyethane
Ethyl tert-butyl ethyl diether
Ethylene glycol tert-butyl ethyl ether
2-(2-Ethoxyethoxy)-2-methylpropane
Propane, 2-(2-ethoxyethoxy)-2-methyl-
Identifiers:
SMILES:
CCOCCOC(C)(C)C
InChI:
InChI=1S/C8H18O2/c1-5-9-6-7-10-8(2,3)4/h5-7H2,1-4H3
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 | 146.23 g/mol | Legacy Database |
| density | 0.83 g/cm³ | Legacy Database |
| cas-boiling-point | 148 °C None | Legacy Database |
| cas-canonical-smile | O(CC)CCOC(C)(C)C None | Legacy Database |
| cas-density | 0.8311 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H18O2/c1-5-9-6-7-10-8(2,3)4/h5-7H2,1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=NUNQKTCKURIZQX-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-(2-Ethoxyethoxy)-2-methylpropane None | Legacy Database |
| LogP | 1.838 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 146.23 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 146.130679816 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 18.46 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 42.198000000000015 | RDKit |
