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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
Names and Synonyms:
Octadecyl Vinyl Ether
Octadecane, 1-(ethenyloxy)-
Ether, octadecyl vinyl
1-(Ethenyloxy)octadecane
Vinyl stearyl ether
Octadecyl vinyl ether
Stearyl vinyl ether
Vinyl octadecyl ether
Rapi-Cure ODVE
NSC 111998
1-(Vinyloxo)octadecane
1-Ethenoxyoctadecane
Identifiers:
SMILES:
C=COCCCCCCCCCCCCCCCCCC
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
Key Properties
Boiling Point
190 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
30 °C
CAS Common Chemistry
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 | 296.54 g/mol | CAS Common Chemistry |
| 296.539 g/mol | RDKit | |
| 296.3079159 g/mol | RDKit | |
| Boiling Point | 190 °C @ Press: 10 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 95.69500000000009 | RDKit |
