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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 Mass:
86.13 g/mol
Names and Synonyms:
2-Ethoxy-1-Propene
1-Propene, 2-ethoxy-
Ether, ethyl isopropenyl
2-Ethoxy-1-propene
Ethyl 1-methylvinyl ether
Ethyl isopropenyl ether
2-Ethoxypropene
Isopropenyl ethyl ether
Identifiers:
SMILES:
C=C(C)OCC
InChI:
InChI=1S/C5H10O/c1-4-6-5(2)3/h2,4H2,1,3H3
Key Properties
Boiling Point
61.2-61.8 °C @ Press: 760 Torr
CAS Common Chemistry
Density
0.77 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.13 g/mol | CAS Common Chemistry |
| 86.134 g/mol | RDKit | |
| 86.07316494 g/mol | RDKit | |
| Density | 0.77 g/cm³ | CAS Common Chemistry |
| 0.7713 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 61.2-61.8 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C(=C)C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C5H10O/c1-4-6-5(2)3/h2,4H2,1,3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FSGHEPDRMHVUCQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Ethoxy-1-propene | 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 |
| Molar Refractivity | 26.439999999999987 | RDKit |
