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Dimethyl Selenide
CAS: 593-79-3 | C2H6Se
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
593-79-3
Molecular Formula:
C2H6Se
Molecular Weight:
109.02999999999999 g/mol
Names and Synonyms:
Dimethyl Selenide
Methane, selenobis-
Methyl selenide
Selenobismethane
Methyl selenium
Dimethyl selenide
Dimethylselenium
(Methylselanyl)methane
Identifiers:
SMILES:
C[Se]C
InChI:
InChI=1S/C2H6Se/c1-3-2/h1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 |
|---|---|---|
| wikipedia_url | https://en.wikipedia.org/wiki/Dimethyl_selenide None | Legacy Database |
| cas-boiling-point | 55 °C None | Legacy Database |
| cas-canonical-smile | [Se](C)C None | Legacy Database |
| cas-density | 1.4077 g/cm3 @ Temp: 14.6 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H6Se/c1-3-2/h1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=RVIXKDRPFPUUOO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -87.2 °C None | Legacy Database |
| cas-name | Dimethyl selenide None | Legacy Database |
| wikipedia-name | Dimethyl selenide None | Legacy Database |
| molecular_mass | 109.03 g/mol | Legacy Database |
| density | 1.41 g/cm³ | Legacy Database |
| LogP | 0.7867999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 109.02999999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 109.963471492 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 17.482 | RDKit |
