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Propyl Vinyl Ether
CAS: 764-47-6 | C5H10O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
764-47-6
Molecular Formula:
C5H10O
Molecular Weight:
86.134 g/mol
Names and Synonyms:
Propyl Vinyl Ether
Synonym
Propane, 1-(ethenyloxy)-
Synonym
Ether, propyl vinyl
Synonym
1-(Ethenyloxy)propane
Synonym
Propyl vinyl ether
Synonym
Propoxyethene
Synonym
Vinyl propyl ether
Synonym
Propoxyethylene
Synonym
n-Propyl vinyl ether
Synonym
1-(Vinyloxy)propane
Synonym
1-Ethenoxypropane
Synonym
Identifiers:
SMILES:
C=COCCC
InChI:
InChI=1S/C5H10O/c1-3-5-6-4-2/h4H,2-3,5H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Failed to fetch
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 86.13 g/mol | Legacy Database |
| density | 0.77 g/cm³ | Legacy Database |
| cas-boiling-point | 65 °C None | Legacy Database |
| cas-canonical-smile | O(C=C)CCC None | Legacy Database |
| cas-density | 0.7668 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H10O/c1-3-5-6-4-2/h4H,2-3,5H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=OVGRCEFMXPHEBL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Propyl vinyl ether None | Legacy Database |
| LogP | 1.5565 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 86.134 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 86.07316494 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 9.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.439999999999987 | RDKit |