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3,6,9,12,15,18-Hexaoxanonadecan-1-Ol
CAS: 23601-40-3 | C13H28O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23601-40-3
Molecular Formula:
C13H28O7
Molecular Mass:
296.36 g/mol
Names and Synonyms:
3,6,9,12,15,18-Hexaoxanonadecan-1-Ol
3,6,9,12,15,18-Hexaoxanonadecan-1-ol
2,5,8,11,14,17-Hexaoxanonadecan-19-ol
Hexaethylene glycol, monomethyl ether
Hexaethylene glycol methyl ether
Methoxyhexaethylene glycol
2-[2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Identifiers:
SMILES:
COCCOCCOCCOCCOCCOCCO
InChI:
InChI=1S/C13H28O7/c1-15-4-5-17-8-9-19-12-13-20-11-10-18-7-6-16-3-2-14/h14H,2-13H2,1H3
Key Properties
Boiling Point
205 °C @ Press: 0.25 Torr
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 | 296.36 g/mol | CAS Common Chemistry |
| 296.183503236 g/mol | RDKit | |
| Boiling Point | 205 °C @ Press: 0.25 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCOCCOCCOCCOCCOCCOC | CAS Common Chemistry |
| InChI | InChI=1S/C13H28O7/c1-15-4-5-17-8-9-19-12-13-20-11-10-18-7-6-16-3-2-14/h14H,2-13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FHHGCKHKTAJLOM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3,6,9,12,15,18-Hexaoxanonadecan-1-ol | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 75.61000000000001 Ų | RDKit |
| LogP | -0.291899999999998 | RDKit |
| Molar Refractivity | 73.05680000000005 | RDKit |
