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Molecule
3,6,9,12,15,18,21,24-Octaoxahexacosane-1,26-Diol
CAS: 3386-18-3 · C18H38O10
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3386-18-3
- Molecular Formula
- C18H38O10
- Molecular Mass
- 414.49 g/mol
Identifiers
CAS Registry Number
3386-18-3
SMILES
OCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI Key
YZUUTMGDONTGTN-UHFFFAOYSA-N
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
Names and Synonyms
- 3,6,9,12,15,18,21,24-Octaoxahexacosane-1,26-Diol Synonym
- 3,6,9,12,15,18,21,24-Octaoxahexacosane-1,26-diol Synonym
- Nonaethylene glycol Synonym
- 2-[2-(2-[2-[2-(2-[2-[2-(2-Hydroxy-ethoxy)-ethoxy]-ethoxy]-ethoxy)-ethoxy]-ethoxy]-ethoxy)-ethoxy]-ethanol Synonym
- 2-[2-[2-[2-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 414.49 g/mol | CAS Common Chemistry |
| 414.4920000000003 g/mol | RDKit | |
| 414.492 g/mol | RDKit | |
| 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 |
| 114.3 Ų | RDKit | |
| LogP | -0.8961999999999937 | RDKit |
| -0.8962 | RDKit | |
| Molar Refractivity | 100.72360000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 414.2464974159999 g/mol | RDKit |
| Boiling Point | 190 °C @ 0.01 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
100
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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.
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MW = 414.49 g/mol. Edit any field — others recompute live.
