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3,6,9,12,15,18,21,24-Octaoxahexacosane-1,26-Diol
CAS: 3386-18-3 | C18H38O10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3386-18-3
Molecular Formula:
C18H38O10
Molecular Mass:
414.49 g/mol
Names and Synonyms:
3,6,9,12,15,18,21,24-Octaoxahexacosane-1,26-Diol
3,6,9,12,15,18,21,24-Octaoxahexacosane-1,26-diol
Nonaethylene glycol
2-[2-(2-[2-[2-(2-[2-[2-(2-Hydroxy-ethoxy)-ethoxy]-ethoxy]-ethoxy)-ethoxy]-ethoxy]-ethoxy)-ethoxy]-ethanol
2-[2-[2-[2-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Identifiers:
SMILES:
OCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI:
InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2
Key Properties
Boiling Point
190 °C @ Press: 0.01 Torr
CAS Common Chemistry
Melting Point
24.0-25.2 °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 | 414.49 g/mol | CAS Common Chemistry |
| 414.4920000000003 g/mol | RDKit | |
| 414.2464974159999 g/mol | RDKit | |
| Boiling Point | 190 °C @ Press: 0.01 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCOCCOCCOCCOCCOCCOCCOCCOCCO | CAS Common Chemistry |
| InChI | InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YZUUTMGDONTGTN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 24.0-25.2 °C | CAS Common Chemistry |
| Name | 3,6,9,12,15,18,21,24-Octaoxahexacosane-1,26-diol | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 25 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 114.30000000000003 Ų | RDKit |
| LogP | -0.8961999999999937 | RDKit |
| Molar Refractivity | 100.72360000000008 | RDKit |
