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Molecule
Tetraethoxymethane
CAS: 78-09-1 · C9H20O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 78-09-1
- Molecular Formula
- C9H20O4
- Molecular Mass
- 192.26 g/mol
Identifiers
CAS Registry Number
78-09-1
SMILES
CCOC(OCC)(OCC)OCC
InChI Key
CWLNAJYDRSIKJS-UHFFFAOYSA-N
InChI
InChI=1S/C9H20O4/c1-5-10-9(11-6-2,12-7-3)13-8-4/h5-8H2,1-4H3
Names and Synonyms
- Tetraethoxymethane Common Name
- Ethane, 1,1′,1′′,1′′′-[methanetetrayltetrakis(oxy)]tetrakis- Synonym
- Orthocarbonic acid, tetraethyl ester Synonym
- 1,1′,1′′,1′′′-[Methanetetrayltetrakis(oxy)]tetrakis[ethane] Synonym
- Tetraethoxymethane Synonym
- Tetraethyl orthocarbonate Synonym
- NSC 28574 Synonym
- (Triethoxymethoxy)ethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 192.26 g/mol | CAS Common Chemistry |
| 192.25499999999997 g/mol | RDKit | |
| 192.255 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetraethoxymethane | CAS Common Chemistry |
| Boiling Point | 159.5 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)C(OCC)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H20O4/c1-5-10-9(11-6-2,12-7-3)13-8-4/h5-8H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CWLNAJYDRSIKJS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 222 °C | CAS Common Chemistry |
| Name | Tetraethyl orthocarbonate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 1.7437 | RDKit |
| Molar Refractivity | 49.235000000000035 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 192.13615912 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
100
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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 = 192.26 g/mol. Edit any field — others recompute live.
