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Tetrahydrofuran
CAS: 109-99-9 | C4H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
109-99-9
Molecular Formula:
C4H8O
Molecular Weight:
72.107 g/mol
Names and Synonyms:
Tetrahydrofuran
Synonym
Furan, tetrahydro-
Synonym
Tetrahydrofuran
Synonym
Butane, 1,4-epoxy-
Synonym
Butane α,δ-oxide
Synonym
Cyclotetramethylene oxide
Synonym
Furanidine
Synonym
Oxacyclopentane
Synonym
Oxolane
Synonym
Tetramethylene oxide
Synonym
THF
Synonym
NSC 57858
Synonym
2,3,4,5-Tetrahydrofuran
Synonym
Identifiers:
SMILES:
C1CCOC1
InChI:
InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
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 | 72.107 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 72.057514876 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 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 | 0.7968 | RDKit |
| molecular_mass | 72.11 g/mol | Legacy Database |
| density | 0.89 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Tetrahydrofuran None | Legacy Database |
| cas-boiling-point | 65 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O1CCCC1 None | Legacy Database |
| cas-density | 0.8892 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=WYURNTSHIVDZCO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -108.3 °C None | Legacy Database |
| cas-name | Tetrahydrofuran None | Legacy Database |
| wikipedia-name | Tetrahydrofuran None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.052999999999997 | RDKit |