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Molecule
Octadecyl Vinyl Ether
CAS: 930-02-9 · C20H40O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 930-02-9
- Molecular Formula
- C20H40O
- Molecular Mass
- 296.54 g/mol
Identifiers
CAS Registry Number
930-02-9
SMILES
C=COCCCCCCCCCCCCCCCCCC
InChI Key
QJJDJWUCRAPCOL-UHFFFAOYSA-N
InChI
InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h4H,2-3,5-20H2,1H3
Names and Synonyms
- Octadecyl Vinyl Ether Synonym
- Octadecane, 1-(ethenyloxy)- Synonym
- Ether, octadecyl vinyl Synonym
- 1-(Ethenyloxy)octadecane Synonym
- Vinyl stearyl ether Synonym
- Octadecyl vinyl ether Synonym
- Stearyl vinyl ether Synonym
- Vinyl octadecyl ether Synonym
- Rapi-Cure ODVE Synonym
- NSC 111998 Synonym
- 1-(Vinyloxo)octadecane Synonym
- 1-Ethenoxyoctadecane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 296.54 g/mol | CAS Common Chemistry |
| 296.539 g/mol | RDKit | |
| Canonical SMILES | O(C=C)CCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h4H,2-3,5-20H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QJJDJWUCRAPCOL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 30 °C | CAS Common Chemistry |
| Name | Octadecyl vinyl ether | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 7.4080000000000075 | RDKit |
| 7.408 | RDKit | |
| 7.4 | chempirical lib | |
| Molar Refractivity | 95.69500000000009 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 296.3079159 g/mol | RDKit |
| Boiling Point | 190 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 296.54 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H40O.
