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Molecule
3,6-Dihydro-2H-Pyran
CAS: 3174-74-1 · C5H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3174-74-1
- Molecular Formula
- C5H8O
- Molecular Mass
- 84.12 g/mol
Identifiers
CAS Registry Number
3174-74-1
SMILES
C1=CCOCC1
InChI Key
MUGSKSNNEORSJG-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2
Names and Synonyms
- 3,6-Dihydro-2H-Pyran Systematic Name
- 2H-Pyran, 3,6-dihydro- Synonym
- 3,6-Dihydro-2H-pyran Synonym
- 5,6-Dihydro-2H-pyran Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 84.12 g/mol | CAS Common Chemistry |
| 84.118 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.943 g/cm3 @ 28.5 °C | CAS Common Chemistry | |
| Boiling Point | 92-93 °C | CAS Common Chemistry |
| Canonical SMILES | O1CC=CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MUGSKSNNEORSJG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3,6-Dihydro-2H-pyran | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 0.9629 | RDKit |
| Molar Refractivity | 24.57599999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 84.057514876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 84.12 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H8O.
