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Molecule
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
Identifiers
CAS Registry Number
94158-44-8
SMILES
COCCOCC(OC)OC
InChI Key
JPOUJDLGAPEXAN-UHFFFAOYSA-N
InChI
InChI=1S/C7H16O4/c1-8-4-5-11-6-7(9-2)10-3/h7H,4-6H2,1-3H3
Names and Synonyms
- 1,1-Dimethoxy-2-(2-Methoxyethoxy)Ethane Synonym
- Ethane, 1,1-dimethoxy-2-(2-methoxyethoxy)- Synonym
- 1,1-Dimethoxy-2-(2-methoxyethoxy)ethane Synonym
- 2-Methoxyethoxyacetaldehyde dimethyl acetal Synonym
- 1-(2,2-Dimethoxyethoxy)-2-methoxyethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.20 g/mol | CAS Common Chemistry |
| 164.201 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 164.104858992 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 164.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H16O4.
