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Dimethoxymethane
CAS: 109-87-5 | C3H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
109-87-5
Molecular Formula:
C3H8O2
Molecular Weight:
76.095 g/mol
Names and Synonyms:
Dimethoxymethane
Methane, dimethoxy-
Dimethoxymethane
Anesthenyl
Formal
Methylal
Methylene dimethyl ether
Formaldehyde dimethyl acetal
Dimethyl formal
Methoxymethyl methyl ether
Formaldehyde methyl ketal
2,4-Dioxapentane
Bis(methoxy)methane
ODS
1,1-Dimethoxymethane
Methylene glycol dimethyl ether
Oxymethylene dimethyl ether
Solvalid DMM 100
Identifiers:
SMILES:
COCOC
InChI:
InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 76.095 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 76.052429496 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 18.46 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.23670000000000002 | RDKit |
| molecular_mass | 76.10 g/mol | Legacy Database |
| density | 0.86 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Dimethoxymethane None | Legacy Database |
| cas-boiling-point | 41.6 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O(C)COC None | Legacy Database |
| cas-density | 0.8593 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=NKDDWNXOKDWJAK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -105 °C None | Legacy Database |
| cas-name | Dimethoxymethane None | Legacy Database |
| wikipedia-name | Dimethoxymethane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 18.884999999999998 | RDKit |
