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Tetrahydropyran
CAS: 142-68-7 | C5H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
142-68-7
Molecular Formula:
C5H10O
Molecular Weight:
86.134 g/mol
Names and Synonyms:
Tetrahydropyran
Common Name
NSC 65448
Synonym
Oxane
Synonym
THP
Synonym
Tetrahydropyrane
Synonym
Tetrahydropyran
Synonym
Pentamethylene oxide
Synonym
Oxacyclohexane
Synonym
Tetrahydro-2H-pyran
Synonym
Pyran, tetrahydro-
Synonym
2H-Pyran, tetrahydro-
Synonym
Identifiers:
SMILES:
C1CCOCC1
InChI:
InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2
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 | 86.134 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 86.07316494 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 | 1.1869 | RDKit |
| molecular_mass | 86.13 g/mol | Legacy Database |
| density | 0.88 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Tetrahydropyran None | Legacy Database |
| cas-boiling-point | 88 °C None | Legacy Database |
| cas-canonical-smile | O1CCCCC1 None | Legacy Database |
| cas-density | 0.8814 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2 None | Legacy Database |
| cas-inchi-key | InChIKey=DHXVGJBLRPWPCS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -49.2 °C None | Legacy Database |
| cas-name | Tetrahydropyran None | Legacy Database |
| wikipedia-name | Tetrahydropyran None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.66999999999999 | RDKit |