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Molecule
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
Identifiers
CAS Registry Number
1850-14-2
SMILES
COC(OC)(OC)OC
InChI Key
AHJWSRRHTXRLAQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O4/c1-6-5(7-2,8-3)9-4/h1-4H3
Names and Synonyms
- Tetramethoxymethane Common Name
- Methane, tetramethoxy- Synonym
- Orthocarbonic acid, tetramethyl ester Synonym
- Tetramethoxymethane Synonym
- Tetramethyl orthocarbonate Synonym
- Dimethoxymethylal Synonym
- NSC 359558 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.15 g/mol | CAS Common Chemistry |
| 136.147 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.020 g/cm3 @ 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 |
| 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 |
| 0.1833 | RDKit | |
| Molar Refractivity | 30.766999999999985 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 136.073558864 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 136.15 g/mol; density = 1.020 g/mL. Edit any field — others recompute live.
