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1,1-Dimethoxy-2-(2-Methoxyethoxy)Ethane
CAS: 94158-44-8 | C7H16O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
94158-44-8
Molecular Formula:
C7H16O4
Molecular Mass:
164.20 g/mol
Names and Synonyms:
1,1-Dimethoxy-2-(2-Methoxyethoxy)Ethane
Ethane, 1,1-dimethoxy-2-(2-methoxyethoxy)-
1,1-Dimethoxy-2-(2-methoxyethoxy)ethane
2-Methoxyethoxyacetaldehyde dimethyl acetal
1-(2,2-Dimethoxyethoxy)-2-methoxyethane
Identifiers:
SMILES:
COCCOCC(OC)OC
InChI:
InChI=1S/C7H16O4/c1-8-4-5-11-6-7(9-2)10-3/h7H,4-6H2,1-3H3
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.20 g/mol | CAS Common Chemistry |
| 164.201 g/mol | RDKit | |
| 164.104858992 g/mol | RDKit | |
| Canonical SMILES | O(C)CCOCC(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C7H16O4/c1-8-4-5-11-6-7(9-2)10-3/h7H,4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JPOUJDLGAPEXAN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Dimethoxy-2-(2-methoxyethoxy)ethane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 0.2683 | RDKit |
| Molar Refractivity | 40.50100000000001 | RDKit |
