Back to Search
Molecule
3,6,9,12-Tetraoxatetracosan-1-Ol
CAS: 5274-68-0 · C20H42O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5274-68-0
- Molecular Formula
- C20H42O5
- Molecular Mass
- 362.55 g/mol
Identifiers
CAS Registry Number
5274-68-0
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCO
InChI Key
WPMWEFXCIYCJSA-UHFFFAOYSA-N
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
Names and Synonyms
- 3,6,9,12-Tetraoxatetracosan-1-Ol Synonym
- 3,6,9,12-Tetraoxatetracosan-1-ol Synonym
- Ethanol, 2[[2-(dodecyloxy)ethoxy]ethoxyethoxy]- Synonym
- Ethanol, 2-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethoxy]- Synonym
- Tetraoxyethylene glycol monododecyl ether Synonym
- Tetra(oxyethylene) dodecyl ether Synonym
- Tetraethylene glycol monolauryl ether Synonym
- Tetraethylene glycol dodecyl ether Synonym
- Polyoxyethylene(4) lauryl ether Synonym
- Tetraethylene glycol monododecyl ether Synonym
- n-Dodecyl tetraethylene glycol ether Synonym
- Dodecyl tetraethylene glycol ether Synonym
- Tetraoxyethylene monododecyl ether Synonym
- α-Dodecyl-ω-hydroxytetrakis(oxyethylene) Synonym
- Tetraoxyethylene glycol dodecyl ether Synonym
- Tetraethylene glycol lauryl ether Synonym
- NSC 190605 Synonym
- 2-[2-[2-(2-Dodecyloxyethoxy)ethoxy]ethoxy]ethanol Synonym
- 2-[2-[2-(2-Dodecoxyethoxy)ethoxy]ethoxy]ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 362.55 g/mol | CAS Common Chemistry |
| 362.55100000000016 g/mol | RDKit | |
| 362.551 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.989 g/cm3 @ 40 °C | 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 |
| 57.15 Ų | RDKit | |
| LogP | 3.9660000000000033 | RDKit |
| 3.966 | RDKit | |
| Molar Refractivity | 102.20580000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 362.3032244439999 g/mol | RDKit |
| Boiling Point | 166 °C @ 0.02 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 362.55 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
