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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 Weight:
84.118 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
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 84.12 g/mol | Legacy Database |
| density | 0.81 g/cm³ | Legacy Database | |
| cas-boiling-point | 66 °C | Legacy Database | |
| cas-canonical-smile | O(C=C)CC=C | Legacy Database | |
| cas-density | 0.805 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C5H8O/c1-3-5-6-4-2/h3-4H,1-2,5H2 | Legacy Database | |
| cas-inchi-key | InChIKey=ZXABMDQSAABDMG-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Allyl vinyl ether | Legacy Database | |
| LogP | 1.3325 | RDKit | |
| Molecular | Molecular Weight | 84.118 g/mol | RDKit |
| Exact | Exact Molecular Weight | 84.057514876 g/mol | RDKit |
| Heavy | Heavy Atom Count | 6 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 9.23 Ų | RDKit |
| Molar | Molar Refractivity | 26.34599999999999 | RDKit |
