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1-(1-Methyl-2-Propoxyethoxy)-2-Propanol
CAS: 29911-27-1 | C9H20O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 29911-27-1
- Molecular Formula
- C9H20O3
- Molecular Mass
- 176.26 g/mol
Identifiers
CAS Registry Number
29911-27-1
SMILES
CCCOCC(C)OCC(C)O
InChI Key
WEZPLQKRXDBPEP-UHFFFAOYSA-N
InChI
InChI=1S/C9H20O3/c1-4-5-11-7-9(3)12-6-8(2)10/h8-10H,4-7H2,1-3H3
Names and Synonyms
- 1-(1-Methyl-2-Propoxyethoxy)-2-Propanol Synonym
- 2-Propanol, 1-(1-methyl-2-propoxyethoxy)- Synonym
- Dipropylene glycol, monopropyl ether Synonym
- Dipropylene glycol, propyl ether Synonym
- 1-(1-Methyl-2-propoxyethoxy)-2-propanol Synonym
- Dowanol DPnP Synonym
- Arcosolv DPNP Synonym
- Dipropylene glycol mono-n-propyl ether Synonym
- Celtol DPNP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 176.26 g/mol | CAS Common Chemistry |
| 176.25599999999997 g/mol | RDKit | |
| 176.256 g/mol | RDKit | |
| Canonical SMILES | OC(C)COC(C)COCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H20O3/c1-4-5-11-7-9(3)12-6-8(2)10/h8-10H,4-7H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WEZPLQKRXDBPEP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(1-Methyl-2-propoxyethoxy)-2-propanol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.69 Ų | RDKit |
| LogP | 1.1988999999999999 | RDKit |
| 1.1989 | RDKit | |
| Molar Refractivity | 48.204800000000034 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 176.1412445 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Related
Related molecules
Other compounds with formula C9H20O3.
