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Tetrahydro-2H-Pyran-4-Ol
CAS: 2081-44-9 | C5H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2081-44-9
Molecular Formula:
C5H10O2
Molecular Weight:
102.133 g/mol
Names and Synonyms:
Tetrahydro-2H-Pyran-4-Ol
2H-Pyran-4-ol, tetrahydro-
Pyran-4-ol, tetrahydro-
Tetrahydro-2H-pyran-4-ol
4-Hydroxytetrahydropyran
Tetrahydro-4-pyranol
Tetrahydro-2H-pyranol-4-ol
4-Hydroxytetrahydro-2H-pyran
Oxan-4-ol
Identifiers:
SMILES:
OC1CCOCC1
InChI:
InChI=1S/C5H10O2/c6-5-1-3-7-4-2-5/h5-6H,1-4H2
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 | 102.133 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 102.06807956 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 29.46 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.15769999999999995 | RDKit |
| molecular_mass | 102.13 g/mol | Legacy Database |
| density | 1.08 g/cm³ | Legacy Database |
| cas-boiling-point | 60.5 °C @ Press: 0.7 Torr None | Legacy Database |
| cas-canonical-smile | OC1CCOCC1 None | Legacy Database |
| cas-density | 1.0776 g/cm3 @ Temp: 12.5 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H10O2/c6-5-1-3-7-4-2-5/h5-6H,1-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=LMYJGUNNJIDROI-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Tetrahydro-2H-pyran-4-ol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.05979999999999 | RDKit |
