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Molecule
3,6,9,12-Tetraoxaeicosan-1-Ol
CAS: 19327-39-0 · C16H34O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19327-39-0
- Molecular Formula
- C16H34O5
- Molecular Mass
- 306.44 g/mol
Identifiers
CAS Registry Number
19327-39-0
SMILES
CCCCCCCCOCCOCCOCCOCCO
InChI Key
FEOZZFHAVXYAMB-UHFFFAOYSA-N
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
Names and Synonyms
- 3,6,9,12-Tetraoxaeicosan-1-Ol Systematic Name
- 3,6,9,12-Tetraoxaeicosan-1-ol Synonym
- Ethanol, 2-[2-[2-[2-(octyloxy)ethoxy]ethoxy]ethoxy]- Synonym
- Tetraethylene glycol monooctyl ether Synonym
- Tetraoxyethylene monooctyl ether Synonym
- n-Octyltetraoxyethylene Synonym
- C8E4 Synonym
- Tetraethylene glycol octyl ether Synonym
- 2-[2-[2-(2-Octoxyethoxy)ethoxy]ethoxy]ethanol Synonym
- 3,6,9,12-Tetraoxaicosan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 306.44 g/mol | CAS Common Chemistry |
| 306.44300000000004 g/mol | RDKit | |
| 306.443 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 |
| 57.15 Ų | RDKit | |
| LogP | 2.405600000000001 | RDKit |
| 2.4056 | RDKit | |
| Molar Refractivity | 83.73780000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 306.24062418799997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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MW = 306.44 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H34O5.
