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3,6,9,12-Tetraoxatetracosan-1-Ol
CAS: 5274-68-0 | C20H42O5
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
5274-68-0
Molecular Formula:
C20H42O5
Molecular Mass:
362.55 g/mol
Names and Synonyms:
3,6,9,12-Tetraoxatetracosan-1-Ol
3,6,9,12-Tetraoxatetracosan-1-ol
Ethanol, 2[[2-(dodecyloxy)ethoxy]ethoxyethoxy]-
Ethanol, 2-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethoxy]-
Tetraoxyethylene glycol monododecyl ether
Tetra(oxyethylene) dodecyl ether
Tetraethylene glycol monolauryl ether
Tetraethylene glycol dodecyl ether
Polyoxyethylene(4) lauryl ether
Tetraethylene glycol monododecyl ether
n-Dodecyl tetraethylene glycol ether
Dodecyl tetraethylene glycol ether
Tetraoxyethylene monododecyl ether
α-Dodecyl-ω-hydroxytetrakis(oxyethylene)
Tetraoxyethylene glycol dodecyl ether
Tetraethylene glycol lauryl ether
NSC 190605
2-[2-[2-(2-Dodecyloxyethoxy)ethoxy]ethoxy]ethanol
2-[2-[2-(2-Dodecoxyethoxy)ethoxy]ethoxy]ethanol
Identifiers:
SMILES:
CCCCCCCCCCCCOCCOCCOCCOCCO
InChI:
InChI=1S/C20H42O5/c1-2-3-4-5-6-7-8-9-10-11-13-22-15-17-24-19-20-25-18-16-23-14-12-21/h21H,2-20H2,1H3
Key Properties
Boiling Point
166 °C @ Press: 0.02 Torr
CAS Common Chemistry
Melting Point
18.6-19.0 °C
CAS Common Chemistry
Density
0.99 g/cm³
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 | 362.55 g/mol | CAS Common Chemistry |
| 362.55100000000016 g/mol | RDKit | |
| 362.3032244439999 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.989 g/cm3 @ Temp: 40 °C | CAS Common Chemistry | |
| Boiling Point | 166 °C @ Press: 0.02 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCOCCOCCOCCOCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C20H42O5/c1-2-3-4-5-6-7-8-9-10-11-13-22-15-17-24-19-20-25-18-16-23-14-12-21/h21H,2-20H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WPMWEFXCIYCJSA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 18.6-19.0 °C | CAS Common Chemistry |
| Name | 3,6,9,12-Tetraoxatetracosan-1-ol | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 22 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.150000000000006 Ų | RDKit |
| LogP | 3.9660000000000033 | RDKit |
| Molar Refractivity | 102.20580000000008 | RDKit |
