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Tetrakis(Allyloxy)Ethane
CAS: 16646-44-9 | C14H22O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16646-44-9
Molecular Formula:
C14H22O4
Molecular Mass:
254.33 g/mol
Names and Synonyms:
Tetrakis(Allyloxy)Ethane
1-Propene, 3,3′,3′′,3′′′-[1,2-ethanediylidenetetrakis(oxy)]tetrakis-
Glyoxal, bis(diallyl acetal)
3,3′,3′′,3′′′-[1,2-Ethanediylidenetetrakis(oxy)]tetrakis[1-propene]
1,1,2,2-Tetrakis(allyloxy)ethane
Tetrakis(allyloxy)ethane
Glyoxal tetraallyl acetal
Tetra(allyloxy)ethane
NSC 158328
1,1,2,2-Tetraallyloxyethane
3-[1,2,2-Tris(prop-2-enoxy)ethoxy]prop-1-ene
Identifiers:
SMILES:
C=CCOC(OCC=C)C(OCC=C)OCC=C
InChI:
InChI=1S/C14H22O4/c1-5-9-15-13(16-10-6-2)14(17-11-7-3)18-12-8-4/h5-8,13-14H,1-4,9-12H2
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 | 254.33 g/mol | CAS Common Chemistry |
| 254.32599999999994 g/mol | RDKit | |
| 254.151809184 g/mol | RDKit | |
| Canonical SMILES | O(CC=C)C(OCC=C)C(OCC=C)OCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C14H22O4/c1-5-9-15-13(16-10-6-2)14(17-11-7-3)18-12-8-4/h5-8,13-14H,1-4,9-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BXAAQNFGSQKPDZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tetrakis(allyloxy)ethane | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 2.4490000000000007 | RDKit |
| Molar Refractivity | 72.17200000000004 | RDKit |
