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Molecule
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
Identifiers
CAS Registry Number
103-75-3
SMILES
CCOC1CCC=CO1
InChI Key
VZJFPIXCMVSTID-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O2/c1-2-8-7-5-3-4-6-9-7/h4,6-7H,2-3,5H2,1H3
Names and Synonyms
- 2-Ethoxy-3,4-Dihydro-2H-Pyran Synonym
- 2H-Pyran, 2-ethoxy-3,4-dihydro- Synonym
- 2-Ethoxy-3,4-dihydro-2H-pyran Synonym
- 2-Ethoxy-2,3-dihydro-γ-pyran Synonym
- 2-Ethoxy-2,3-dihydro-4H-pyran Synonym
- 2-Ethoxy-3,4-dihydropyran Synonym
- 3,4-Dihydro-2-ethoxy-2H-pyran Synonym
- 3,4-Dihydro-2-ethoxypyran Synonym
- (±)-3,4-Dihydro-2-ethoxy-2H-pyran Synonym
- (±)-2-Ethoxy-3,4-dihydro-2H-pyran Synonym
- NSC 6271 Synonym
- 3,4-Dihydro-2H-pyran-2-yl ethyl ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.17 g/mol | CAS Common Chemistry |
| 128.171 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.970 g/cm3 @ 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 |
| 1.8 | chempirical lib | |
| Molar Refractivity | 34.87299999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 128.083729624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 128.17 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H12O2.
