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Allyl Vinyl Ether
CAS: 3917-15-5 | C5H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3917-15-5
Molecular Formula:
C5H8O
Molecular Mass:
84.12 g/mol
Names and Synonyms:
Allyl Vinyl Ether
1-Propene, 3-(ethenyloxy)-
Ether, allyl vinyl
3-(Ethenyloxy)-1-propene
Allyl vinyl ether
Vinyl allyl ether
Allyl ethenyl ether
NSC 6270
1-(Vinyloxy)-2-propene
3-Ethenoxyprop-1-ene
Identifiers:
SMILES:
C=CCOC=C
InChI:
InChI=1S/C5H8O/c1-3-5-6-4-2/h3-4H,1-2,5H2
Key Properties
Boiling Point
66 °C
CAS Common Chemistry
Density
0.81 g/cm³
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 | 84.12 g/mol | CAS Common Chemistry |
| 84.118 g/mol | RDKit | |
| 84.057514876 g/mol | RDKit | |
| Density | 0.81 g/cm³ | CAS Common Chemistry |
| 0.805 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 66 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=C)CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C5H8O/c1-3-5-6-4-2/h3-4H,1-2,5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZXABMDQSAABDMG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Allyl vinyl ether | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.3325 | RDKit |
| 1.19 | chempirical lib | |
| Molar Refractivity | 26.34599999999999 | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
Related Molecules
Other compounds with formula C5H8O
