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2-Ethoxy-1-Propene
CAS: 926-66-9 | C5H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
926-66-9
Molecular Formula:
C5H10O
Molecular Weight:
86.134 g/mol
Names and Synonyms:
2-Ethoxy-1-Propene
Synonym
1-Propene, 2-ethoxy-
Synonym
Ether, ethyl isopropenyl
Synonym
2-Ethoxy-1-propene
Synonym
Ethyl 1-methylvinyl ether
Synonym
Ethyl isopropenyl ether
Synonym
2-Ethoxypropene
Synonym
Isopropenyl ethyl ether
Synonym
Identifiers:
SMILES:
C=C(C)OCC
InChI:
InChI=1S/C5H10O/c1-4-6-5(2)3/h2,4H2,1,3H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 86.13 g/mol | Legacy Database |
| density | 0.77 g/cm³ | Legacy Database |
| cas-boiling-point | 61.2-61.8 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O(C(=C)C)CC None | Legacy Database |
| cas-density | 0.7713 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H10O/c1-4-6-5(2)3/h2,4H2,1,3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=FSGHEPDRMHVUCQ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-Ethoxy-1-propene 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 | 2 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 |