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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 Mass:
146.23 g/mol
Names and Synonyms:
2-(2-Ethoxyethoxy)-2-Methylpropane
Propane, 2-(2-ethoxyethoxy)-2-methyl-
2-(2-Ethoxyethoxy)-2-methylpropane
Ethylene glycol tert-butyl ethyl ether
Ethyl tert-butyl ethyl diether
1-tert-Butoxy-2-ethoxyethane
1-Ethoxy-2-tert-butoxyethane
Additive CMX
CMX
Ethylene glycol ethyl tert-butyl ether
Identifiers:
SMILES:
CCOCCOC(C)(C)C
InChI:
InChI=1S/C8H18O2/c1-5-9-6-7-10-8(2,3)4/h5-7H2,1-4H3
Key Properties
Boiling Point
148 °C
CAS Common Chemistry
Density
0.83 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 | 146.23 g/mol | CAS Common Chemistry |
| 146.130679816 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.8311 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 148 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)CCOC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H18O2/c1-5-9-6-7-10-8(2,3)4/h5-7H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NUNQKTCKURIZQX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(2-Ethoxyethoxy)-2-methylpropane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 1.838 | RDKit |
| Molar Refractivity | 42.198000000000015 | RDKit |
