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3,6,9,12-Tetraoxaeicosan-1-Ol
CAS: 19327-39-0 | C16H34O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19327-39-0
Molecular Formula:
C16H34O5
Molecular Mass:
306.44 g/mol
Names and Synonyms:
3,6,9,12-Tetraoxaeicosan-1-Ol
3,6,9,12-Tetraoxaeicosan-1-ol
Ethanol, 2-[2-[2-[2-(octyloxy)ethoxy]ethoxy]ethoxy]-
Tetraethylene glycol monooctyl ether
Tetraoxyethylene monooctyl ether
n-Octyltetraoxyethylene
C8E4
Tetraethylene glycol octyl ether
2-[2-[2-(2-Octoxyethoxy)ethoxy]ethoxy]ethanol
3,6,9,12-Tetraoxaicosan-1-ol
Identifiers:
SMILES:
CCCCCCCCOCCOCCOCCOCCO
InChI:
InChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
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 | 306.44 g/mol | CAS Common Chemistry |
| 306.44300000000004 g/mol | RDKit | |
| 306.24062418799997 g/mol | RDKit | |
| Canonical SMILES | OCCOCCOCCOCCOCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FEOZZFHAVXYAMB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3,6,9,12-Tetraoxaeicosan-1-ol | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.150000000000006 Ų | RDKit |
| LogP | 2.405600000000001 | RDKit |
| Molar Refractivity | 83.73780000000006 | RDKit |
