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Molecule
Tetrahydro-2H-Pyran-3-Methanol
CAS: 14774-36-8 · C6H12O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14774-36-8
- Molecular Formula
- C6H12O2
- Molecular Mass
- 116.16 g/mol
Identifiers
CAS Registry Number
14774-36-8
SMILES
OCC1CCCOC1
InChI Key
VFTQJKSRDCKVQA-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O2/c7-4-6-2-1-3-8-5-6/h6-7H,1-5H2
Names and Synonyms
- Tetrahydro-2H-Pyran-3-Methanol Common Name
- 2H-Pyran-3-methanol, tetrahydro- Synonym
- Pyran-3-methanol, tetrahydro- Synonym
- Tetrahydro-2H-pyran-3-methanol Synonym
- 3-(Hydroxymethyl)tetrahydropyran Synonym
- (Tetrahydropyran-3-yl)methanol Synonym
- 5-(Hydroxymethyl)tetrahydropyran Synonym
- (Tetrahydro-2H-pyran-3-yl)methanol Synonym
- Oxan-3-ylmethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.16 g/mol | CAS Common Chemistry |
| 116.16000000000001 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.040 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OCC1COCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O2/c7-4-6-2-1-3-8-5-6/h6-7H,1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VFTQJKSRDCKVQA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tetrahydro-2H-pyran-3-methanol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 0.4053 | RDKit |
| Molar Refractivity | 30.628799999999984 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 116.083729624 g/mol | RDKit |
| Boiling Point | 68-69 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 116.16 g/mol; density = 1.040 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12O2.
