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Molecule
Ethyl 1-Propenyl Ether
CAS: 928-55-2 · C5H10O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 928-55-2
- Molecular Formula
- C5H10O
- Molecular Mass
- 86.13 g/mol
Identifiers
CAS Registry Number
928-55-2
SMILES
CC=COCC
InChI Key
XDHOEHJVXXTEDV-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O/c1-3-5-6-4-2/h3,5H,4H2,1-2H3
Names and Synonyms
- Ethyl 1-Propenyl Ether Synonym
- 1-Propene, 1-ethoxy- Synonym
- Ether, ethyl propenyl Synonym
- 1-Ethoxy-1-propene Synonym
- Ethyl 1-propenyl ether Synonym
- Ethyl propenyl ether Synonym
- 1-Ethoxypropene Synonym
- NSC 6107 Synonym
- (1-Propen-1-yloxy)ethane Synonym
- Ethyl 1-propen-1-yl ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.13 g/mol | CAS Common Chemistry |
| 86.134 g/mol | RDKit | |
| Density | 0.78 g/cm³ | CAS Common Chemistry |
| 0.7754 g/cm3 @ 0 °C | CAS Common Chemistry | |
| Boiling Point | 69 °C | CAS Common Chemistry |
| Canonical SMILES | O(C=CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C5H10O/c1-3-5-6-4-2/h3,5H,4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XDHOEHJVXXTEDV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl 1-propenyl ether | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | 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 = 0.780 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10O.
