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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 Mass:
136.15 g/mol
Names and Synonyms:
Tetramethoxymethane
Methane, tetramethoxy-
Orthocarbonic acid, tetramethyl ester
Tetramethoxymethane
Tetramethyl orthocarbonate
Dimethoxymethylal
NSC 359558
Identifiers:
SMILES:
COC(OC)(OC)OC
InChI:
InChI=1S/C5H12O4/c1-6-5(7-2,8-3)9-4/h1-4H3
Key Properties
Boiling Point
114 °C
CAS Common Chemistry
Melting Point
-5 °C
CAS Common Chemistry
Density
1.02 g/cm³
CAS Common Chemistry
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 | 136.15 g/mol | CAS Common Chemistry |
| 136.147 g/mol | RDKit | |
| 136.073558864 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.020 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetramethoxymethane | CAS Common Chemistry |
| Boiling Point | 114 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)C(OC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C5H12O4/c1-6-5(7-2,8-3)9-4/h1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AHJWSRRHTXRLAQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -5 °C | CAS Common Chemistry |
| Name | Tetramethyl orthocarbonate | CAS Common Chemistry |
| Tetramethoxymethane | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 0.18330000000000002 | RDKit |
| Molar Refractivity | 30.766999999999985 | RDKit |
