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Diethyl Methylphosphonite
CAS: 15715-41-0 | C5H13O2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15715-41-0
Molecular Formula:
C5H13O2P
Molecular Weight:
136.131 g/mol
Names and Synonyms:
Diethyl Methylphosphonite
Phosphonous acid, P-methyl-, diethyl ester
Phosphonous acid, methyl-, diethyl ester
Diethyl methylphosphonite
Diethoxymethylphosphine
Diethyl methanephosphonite
O,O-Diethyl methylphosphonite
Methyldiethoxyphosphine
Identifiers:
SMILES:
CCOP(C)OCC
InChI:
InChI=1S/C5H13O2P/c1-4-6-8(3)7-5-2/h4-5H2,1-3H3
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 | 136.131 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 136.065316286 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 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 | 18.46 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.0011 | RDKit |
| molecular_mass | 136.13 g/mol | Legacy Database |
| density | 0.91 g/cm³ | Legacy Database |
| cas-boiling-point | 47 °C @ Press: 50 Torr None | Legacy Database |
| cas-canonical-smile | O(P(OCC)C)CC None | Legacy Database |
| cas-density | 0.905 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H13O2P/c1-4-6-8(3)7-5-2/h4-5H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=NSSMTQDEWVTEKN-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Diethyl methylphosphonite None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.096 | RDKit |
