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Molecule
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 Mass
- 136.13 g/mol
Identifiers
CAS Registry Number
15715-41-0
SMILES
CCOP(C)OCC
InChI Key
NSSMTQDEWVTEKN-UHFFFAOYSA-N
InChI
InChI=1S/C5H13O2P/c1-4-6-8(3)7-5-2/h4-5H2,1-3H3
Names and Synonyms
- Diethyl Methylphosphonite Synonym
- Phosphonous acid, P-methyl-, diethyl ester Synonym
- Phosphonous acid, methyl-, diethyl ester Synonym
- Diethyl methylphosphonite Synonym
- Diethoxymethylphosphine Synonym
- Diethyl methanephosphonite Synonym
- O,O-Diethyl methylphosphonite Synonym
- Methyldiethoxyphosphine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.13 g/mol | CAS Common Chemistry |
| 136.131 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.905 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O(P(OCC)C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C5H13O2P/c1-4-6-8(3)7-5-2/h4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NSSMTQDEWVTEKN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diethyl methylphosphonite | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.0011 | RDKit |
| 2.03 | chempirical lib | |
| Molar Refractivity | 36.096 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 136.065316286 g/mol | RDKit |
| Boiling Point | 47 °C @ 50 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 136.13 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
