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Molecule
3,4-Dihydropyran
CAS: 110-87-2 · C5H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 110-87-2
- Molecular Formula
- C5H8O
- Molecular Mass
- 84.12 g/mol
Identifiers
CAS Registry Number
110-87-2
SMILES
C1=COCCC1
InChI Key
BUDQDWGNQVEFAC-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2
Names and Synonyms
- 3,4-Dihydropyran Synonym
- 2H-Pyran, 3,4-dihydro- Synonym
- Pyran, dihydro- Synonym
- 2-Pyran, 3,4-dihydro- Synonym
- 1,2-Pyran, 3,4-dihydro- Synonym
- 3,4-Dihydro-2H-pyran Synonym
- 2,3-Dihydro-4H-pyran Synonym
- 2H-3,4-Dihydropyran Synonym
- Δ2-Dihydropyran Synonym
- 5,6-Dihydro-4H-pyran Synonym
- Dihydropyran Synonym
- Dihydro-2H-pyran Synonym
- 2,3-Dihydro-γ-pyran Synonym
- NSC 57860 Synonym
- NSC 73472 Synonym
- 3,4-Dihydro-2H-pyrane Synonym
- 2,3,4-Trihydropyran Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 84.12 g/mol | CAS Common Chemistry |
| 84.11800000000001 g/mol | RDKit | |
| 84.118 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.922 g/cm3 @ 19 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3,4-Dihydropyran | CAS Common Chemistry |
| Boiling Point | 86 °C | CAS Common Chemistry |
| Canonical SMILES | O1C=CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BUDQDWGNQVEFAC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -70 °C | CAS Common Chemistry |
| Name | 3,4-Dihydro-2H-pyran | CAS Common Chemistry |
| 3,4-Dihydropyran | 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 | 1.3105 | RDKit |
| 1.3 | chempirical lib | |
| Molar Refractivity | 24.32599999999999 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
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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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 = 84.12 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H8O.
