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Molecule
Propylene Glycol Dimethyl Ether
CAS: 7778-85-0 · C5H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7778-85-0
- Molecular Formula
- C5H12O2
- Molecular Mass
- 104.15 g/mol
Identifiers
CAS Registry Number
7778-85-0
SMILES
COCC(C)OC
InChI Key
LEEANUDEDHYDTG-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3
Names and Synonyms
- Propylene Glycol Dimethyl Ether Common Name
- Propane, 1,2-dimethoxy- Synonym
- 1,2-Dimethoxypropane Synonym
- Propylene glycol dimethyl ether Synonym
- DMFDG Synonym
- Hisolve MMPOM Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 104.15 g/mol | CAS Common Chemistry |
| 104.149 g/mol | RDKit | |
| Boiling Point | 96 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)CC(OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LEEANUDEDHYDTG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Propylene glycol dimethyl ether | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 0.6677000000000001 | RDKit |
| 0.6677 | RDKit | |
| Molar Refractivity | 28.346999999999984 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 104.083729624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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MW = 104.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H12O2.
