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Molecule
Tetrahydro-2H-Pyran-4-Ol
CAS: 2081-44-9 · C5H10O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2081-44-9
- Molecular Formula
- C5H10O2
- Molecular Mass
- 102.13 g/mol
Identifiers
CAS Registry Number
2081-44-9
SMILES
OC1CCOCC1
InChI Key
LMYJGUNNJIDROI-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O2/c6-5-1-3-7-4-2-5/h5-6H,1-4H2
Names and Synonyms
- Tetrahydro-2H-Pyran-4-Ol Synonym
- 2H-Pyran-4-ol, tetrahydro- Synonym
- Pyran-4-ol, tetrahydro- Synonym
- Tetrahydro-2H-pyran-4-ol Synonym
- 4-Hydroxytetrahydropyran Synonym
- Tetrahydro-4-pyranol Synonym
- Tetrahydro-2H-pyranol-4-ol Synonym
- 4-Hydroxytetrahydro-2H-pyran Synonym
- Oxan-4-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.13 g/mol | CAS Common Chemistry |
| 102.133 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.0776 g/cm3 @ 12.5 °C | CAS Common Chemistry | |
| Canonical SMILES | OC1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H10O2/c6-5-1-3-7-4-2-5/h5-6H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LMYJGUNNJIDROI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tetrahydro-2H-pyran-4-ol | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 0.15769999999999995 | RDKit |
| 0.1577 | RDKit | |
| Molar Refractivity | 26.05979999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 102.06807956 g/mol | RDKit |
| Boiling Point | 60.5 °C @ 0.7 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 102.13 g/mol; density = 1.080 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10O2.
