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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 Weight:
84.11800000000001 g/mol
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
Identifiers:
SMILES:
C1=COCCC1
InChI:
InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 84.11800000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 84.057514876 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 9.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.3105 | RDKit |
| molecular_mass | 84.12 g/mol | Legacy Database |
| density | 0.92 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/3,4-Dihydropyran None | Legacy Database |
| cas-boiling-point | 86 °C None | Legacy Database |
| cas-canonical-smile | O1C=CCCC1 None | Legacy Database |
| cas-density | 0.922 g/cm3 @ Temp: 19 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2 None | Legacy Database |
| cas-inchi-key | InChIKey=BUDQDWGNQVEFAC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -70 °C None | Legacy Database |
| cas-name | 3,4-Dihydro-2H-pyran None | Legacy Database |
| wikipedia-name | 3,4-Dihydropyran None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.32599999999999 | RDKit |