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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 Mass:
128.17 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
Key Properties
Boiling Point
143 °C
CAS Common Chemistry
Melting Point
153-155 °C
CAS Common Chemistry
Density
0.97 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 | 128.17 g/mol | CAS Common Chemistry |
| 128.171 g/mol | RDKit | |
| 128.083729624 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.970 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 143 °C | CAS Common Chemistry |
| Canonical SMILES | O1C=CCCC1OCC | CAS Common Chemistry |
| InChI | InChI=1S/C7H12O2/c1-2-8-7-5-3-4-6-9-7/h4,6-7H,2-3,5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VZJFPIXCMVSTID-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 153-155 °C | CAS Common Chemistry |
| Name | 2-Ethoxy-3,4-dihydro-2H-pyran | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 1.6731 | RDKit |
| Molar Refractivity | 34.87299999999999 | RDKit |
