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Decaethylene Glycol
CAS: 5579-66-8 | C20H42O11
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5579-66-8
Molecular Formula:
C20H42O11
Molecular Mass:
458.55 g/mol
Names and Synonyms:
Decaethylene Glycol
3,6,9,12,15,18,21,24,27-Nonaoxanonacosane-1,29-diol
Decaethylene glycol
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Identifiers:
SMILES:
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI:
InChI=1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2
Key Properties
Melting Point
25.8-28.3 °C
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 | 458.55 g/mol | CAS Common Chemistry |
| 458.5450000000004 g/mol | RDKit | |
| 458.27271216399987 g/mol | RDKit | |
| Canonical SMILES | OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO | CAS Common Chemistry |
| InChI | InChI=1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DTPCFIHYWYONMD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 25.8-28.3 °C | CAS Common Chemistry |
| Name | Decaethylene glycol | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 28 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 123.53000000000003 Ų | RDKit |
| LogP | -0.8795999999999924 | RDKit |
| Molar Refractivity | 111.54260000000009 | RDKit |
