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2-Ethoxy-3,4-Dihydro-2H-Pyran
CAS: 103-75-3 | C7H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
103-75-3
Molecular Formula:
C7H12O2
Molecular Weight:
128.171 g/mol
Names and Synonyms:
2-Ethoxy-3,4-Dihydro-2H-Pyran
2H-Pyran, 2-ethoxy-3,4-dihydro-
2-Ethoxy-3,4-dihydro-2H-pyran
2-Ethoxy-2,3-dihydro-γ-pyran
2-Ethoxy-2,3-dihydro-4H-pyran
2-Ethoxy-3,4-dihydropyran
3,4-Dihydro-2-ethoxy-2H-pyran
3,4-Dihydro-2-ethoxypyran
(±)-3,4-Dihydro-2-ethoxy-2H-pyran
(±)-2-Ethoxy-3,4-dihydro-2H-pyran
NSC 6271
3,4-Dihydro-2H-pyran-2-yl ethyl ether
Identifiers:
SMILES:
CCOC1CCC=CO1
InChI:
InChI=1S/C7H12O2/c1-2-8-7-5-3-4-6-9-7/h4,6-7H,2-3,5H2,1H3
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 | 128.17 g/mol | Legacy Database |
| density | 0.97 g/cm³ | Legacy Database |
| cas-boiling-point | 143 °C None | Legacy Database |
| cas-canonical-smile | O1C=CCCC1OCC None | Legacy Database |
| cas-density | 0.970 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H12O2/c1-2-8-7-5-3-4-6-9-7/h4,6-7H,2-3,5H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=VZJFPIXCMVSTID-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 153-155 °C None | Legacy Database |
| cas-name | 2-Ethoxy-3,4-dihydro-2H-pyran None | Legacy Database |
| LogP | 1.6731 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 128.171 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 128.083729624 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 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 | 18.46 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 34.87299999999999 | RDKit |
