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Molecule
1,1,2-Trimethoxyethane
CAS: 24332-20-5 · C5H12O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 24332-20-5
- Molecular Formula
- C5H12O3
- Molecular Mass
- 120.15 g/mol
Identifiers
CAS Registry Number
24332-20-5
SMILES
COCC(OC)OC
InChI Key
DYOZNCVZPFIXLU-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O3/c1-6-4-5(7-2)8-3/h5H,4H2,1-3H3
Names and Synonyms
- 1,1,2-Trimethoxyethane Synonym
- Ethane, 1,1,2-trimethoxy- Synonym
- Acetaldehyde, methoxy-, dimethyl acetal Synonym
- 1,1,2-Trimethoxyethane Synonym
- Methoxyacetaldehyde dimethyl acetal Synonym
- 1,1,2-Tris(methoxy)ethane Synonym
- 2-Methoxyacetaldehyde dimethyl acetal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 120.15 g/mol | CAS Common Chemistry |
| 120.148 g/mol | RDKit | |
| Canonical SMILES | O(C)CC(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C5H12O3/c1-6-4-5(7-2)8-3/h5H,4H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DYOZNCVZPFIXLU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,2-Trimethoxyethane | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 0.25170000000000003 | RDKit |
| 0.2517 | RDKit | |
| Molar Refractivity | 29.681999999999984 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 120.078644244 g/mol | RDKit |
| Boiling Point | 56-59 °C @ 56 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
External Resources
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MW = 120.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H12O3.
