Back to Search
Molecule
2-(Octadecyloxy)Ethanol
CAS: 2136-72-3 · C20H42O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2136-72-3
- Molecular Formula
- C20H42O2
- Molecular Mass
- 314.55 g/mol
Identifiers
CAS Registry Number
2136-72-3
SMILES
CCCCCCCCCCCCCCCCCCOCCO
InChI Key
ICIDSZQHPUZUHC-UHFFFAOYSA-N
InChI
InChI=1S/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h21H,2-20H2,1H3
Names and Synonyms
- 2-(Octadecyloxy)Ethanol Synonym
- Ethanol, 2-(octadecyloxy)- Synonym
- 2-(Octadecyloxy)ethanol Synonym
- 2-Octadecoxyethanol Synonym
- Ethylene glycol monooctadecyl ether Synonym
- Hydroxyethyl stearyl ether Synonym
- 3-Oxa-1-heneicosanol Synonym
- Ethylene glycol monostearyl ether Synonym
- 2-Octadecyloxy-1-ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 314.55 g/mol | CAS Common Chemistry |
| 314.554 g/mol | RDKit | |
| Canonical SMILES | OCCOCCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h21H,2-20H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ICIDSZQHPUZUHC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 49-50 °C @ Solvent: Methanol | CAS Common Chemistry |
| Name | 2-(Octadecyloxy)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 19 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 6.256800000000007 | RDKit |
| 6.2568 | RDKit | |
| Molar Refractivity | 97.45080000000009 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 314.318480584 g/mol | RDKit |
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 = 314.55 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H42O2.
