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Molecule
Tetrahydro-3-Furancarboxaldehyde
CAS: 79710-86-4 · C5H8O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 79710-86-4
- Molecular Formula
- C5H8O2
- Molecular Mass
- 100.12 g/mol
Identifiers
CAS Registry Number
79710-86-4
SMILES
O=CC1CCOC1
InChI Key
GSUBXIVOZXWGKF-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O2/c6-3-5-1-2-7-4-5/h3,5H,1-2,4H2
Names and Synonyms
- Tetrahydro-3-Furancarboxaldehyde Common Name
- 3-Furancarboxaldehyde, tetrahydro- Synonym
- 3-Furaldehyde, tetrahydro- Synonym
- Tetrahydro-3-furancarboxaldehyde Synonym
- (±)-Tetrahydrofuran-3-carboxaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 100.12 g/mol | CAS Common Chemistry |
| 100.117 g/mol | RDKit | |
| Canonical SMILES | O=CC1COCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H8O2/c6-3-5-1-2-7-4-5/h3,5H,1-2,4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GSUBXIVOZXWGKF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tetrahydro-3-furancarboxaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 0.2218 | RDKit |
| Molar Refractivity | 24.989999999999988 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 100.052429496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 100.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H8O2.
