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Octaethylene Glycol
CAS: 5117-19-1 | C16H34O9
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5117-19-1
Molecular Formula:
C16H34O9
Molecular Mass:
370.44 g/mol
Names and Synonyms:
Octaethylene Glycol
3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diol
Octaethylene glycol
2-[2-[2-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Identifiers:
SMILES:
OCCOCCOCCOCCOCCOCCOCCOCCO
InChI:
InChI=1S/C16H34O9/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18/h17-18H,1-16H2
Key Properties
Boiling Point
175 °C @ Press: 0.01 Torr
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 370.44 g/mol | CAS Common Chemistry |
| 370.4390000000002 g/mol | RDKit | |
| 370.2202826679999 g/mol | RDKit | |
| Boiling Point | 175 °C @ Press: 0.01 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCOCCOCCOCCOCCOCCOCCOCCO | CAS Common Chemistry |
| InChI | InChI=1S/C16H34O9/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18/h17-18H,1-16H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GLZWNFNQMJAZGY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Octaethylene glycol | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 22 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 105.07000000000002 Ų | RDKit |
| LogP | -0.912799999999995 | RDKit |
| Molar Refractivity | 89.90460000000007 | RDKit |
