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Molecule
3,6,9,12,15,18,21,24-Octaoxapentacosan-1-Ol
CAS: 25990-96-9 · C17H36O9
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 25990-96-9
- Molecular Formula
- C17H36O9
- Molecular Mass
- 384.47 g/mol
Identifiers
CAS Registry Number
25990-96-9
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCO
InChI Key
SZGNWRSFHADOMY-UHFFFAOYSA-N
InChI
InChI=1S/C17H36O9/c1-19-4-5-21-8-9-23-12-13-25-16-17-26-15-14-24-11-10-22-7-6-20-3-2-18/h18H,2-17H2,1H3
Names and Synonyms
- 3,6,9,12,15,18,21,24-Octaoxapentacosan-1-Ol Synonym
- 3,6,9,12,15,18,21,24-Octaoxapentacosan-1-ol Synonym
- 2,5,8,11,14,17,20,23-Octaoxapentacosan-25-ol Synonym
- Octaethylene glycol, monomethyl ether Synonym
- Methoxyoctaethylene glycol Synonym
- 3,6,10,13,16,19,22,25-Octaoxahexacosan-1-ol Synonym
- 2-[2-[2-[2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 384.47 g/mol | CAS Common Chemistry |
| 384.46600000000024 g/mol | RDKit | |
| 384.466 g/mol | RDKit | |
| Boiling Point | 165 °C @ Press: 5 x 10-3 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCOCCOCCOCCOCCOCCOCCOCCOC | CAS Common Chemistry |
| InChI | InChI=1S/C17H36O9/c1-19-4-5-21-8-9-23-12-13-25-16-17-26-15-14-24-11-10-22-7-6-20-3-2-18/h18H,2-17H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SZGNWRSFHADOMY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3,6,9,12,15,18,21,24-Octaoxapentacosan-1-ol | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 23 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 94.07000000000002 Ų | RDKit |
| 94.07 Ų | RDKit | |
| LogP | -0.25869999999999543 | RDKit |
| -0.2587 | RDKit | |
| Molar Refractivity | 94.69480000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 384.2359327319999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 384.47 g/mol. Edit any field — others recompute live.
