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Molecule
Propyl Vinyl Ether
CAS: 764-47-6 · C5H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 764-47-6
- Molecular Formula
- C5H10O
- Molecular Mass
- 86.13 g/mol
Identifiers
CAS Registry Number
764-47-6
SMILES
C=COCCC
InChI Key
OVGRCEFMXPHEBL-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O/c1-3-5-6-4-2/h4H,2-3,5H2,1H3
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| InChI Key | InChIKey=OVGRCEFMXPHEBL-UHFFFAOYSA-N | CAS Common Chemistry |
| Molecular Mass | 86.13 g/mol | CAS Common Chemistry |
| 86.134 g/mol | RDKit | |
| Density | 0.77 g/cm³ | CAS Common Chemistry |
| 0.7668 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 65 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=C)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C5H10O/c1-3-5-6-4-2/h4H,2-3,5H2,1H3 | CAS Common Chemistry |
| Name | Propyl 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 | 1.5565 | RDKit |
| 1.55 | chempirical lib | |
| Molar Refractivity | 26.439999999999987 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 86.07316494 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 86.13 g/mol; density = 0.770 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10O.
