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Tetramethoxymethane
CAS: 1850-14-2 | C5H12O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1850-14-2
Molecular Formula:
C5H12O4
Molecular Weight:
136.147 g/mol
Names and Synonyms:
Tetramethoxymethane
NSC 359558
Dimethoxymethylal
Tetramethyl orthocarbonate
Tetramethoxymethane
Orthocarbonic acid, tetramethyl ester
Methane, tetramethoxy-
Identifiers:
SMILES:
COC(OC)(OC)OC
InChI:
InChI=1S/C5H12O4/c1-6-5(7-2,8-3)9-4/h1-4H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 136.15 g/mol | Legacy Database |
| density | 1.02 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Tetramethoxymethane None | Legacy Database |
| cas-boiling-point | 114 °C None | Legacy Database |
| cas-canonical-smile | O(C)C(OC)(OC)OC None | Legacy Database |
| cas-density | 1.020 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H12O4/c1-6-5(7-2,8-3)9-4/h1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=AHJWSRRHTXRLAQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -5 °C None | Legacy Database |
| cas-name | Tetramethyl orthocarbonate None | Legacy Database |
| wikipedia-name | Tetramethoxymethane None | Legacy Database |
| LogP | 0.18330000000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 136.147 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 136.073558864 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 36.92 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 30.766999999999985 | RDKit |
