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Molecule
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
Identifiers
CAS Registry Number
5579-66-8
SMILES
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI Key
DTPCFIHYWYONMD-UHFFFAOYSA-N
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
Names and Synonyms
- Decaethylene Glycol Synonym
- 3,6,9,12,15,18,21,24,27-Nonaoxanonacosane-1,29-diol Synonym
- Decaethylene glycol Synonym
- 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 458.55 g/mol | CAS Common Chemistry |
| 458.5450000000004 g/mol | RDKit | |
| 458.545 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 |
| 123.53 Ų | RDKit | |
| LogP | -0.8795999999999924 | RDKit |
| -0.8796 | RDKit | |
| Molar Refractivity | 111.54260000000009 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 458.27271216399987 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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100
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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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MW = 458.55 g/mol. Edit any field — others recompute live.
