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Molecule
Diisopropyl Methylphosphonate
CAS: 1445-75-6 · C7H17O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1445-75-6
- Molecular Formula
- C7H17O3P
- Molecular Mass
- 180.18 g/mol
Identifiers
CAS Registry Number
1445-75-6
SMILES
CC(C)OP(C)(=O)OC(C)C
InChI Key
WOAFDHWYKSOANX-UHFFFAOYSA-N
InChI
InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3
Names and Synonyms
- Diisopropyl Methylphosphonate Common Name
- Phosphonic acid, P-methyl-, bis(1-methylethyl) ester Synonym
- Phosphonic acid, methyl-, diisopropyl ester Synonym
- Phosphonic acid, methyl-, bis(1-methylethyl) ester Synonym
- Diisopropyl methylphosphonate Synonym
- DIMP Synonym
- Diisopropyl methanephosphonate Synonym
- DIMP (phosphonate) Synonym
- O,O-Diisopropyl methylphosphonate Synonym
- 2-[Methyl(propan-2-yloxy)phosphoryl]oxypropane Synonym
- 2-[Isopropoxy(methyl)phosphoryl]oxypropane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 180.18 g/mol | CAS Common Chemistry |
| 180.184 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.976 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diisopropyl_methylphosphonate | CAS Common Chemistry |
| Canonical SMILES | O=P(OC(C)C)(OC(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WOAFDHWYKSOANX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Diisopropyl methylphosphonate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 2.659300000000001 | RDKit |
| 2.6593 | RDKit | |
| 2.53 | chempirical lib | |
| Molar Refractivity | 45.97250000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 180.09153103399998 g/mol | RDKit |
| Boiling Point | 121.05 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
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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 |
|---|
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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Quick conversion
MW = 180.18 g/mol; density = 0.980 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H17O3P.
