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Molecule
Tetrahydro-2-Furancarboxaldehyde
CAS: 7681-84-7 · C5H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7681-84-7
- Molecular Formula
- C5H8O2
- Molecular Mass
- 100.12 g/mol
Identifiers
CAS Registry Number
7681-84-7
SMILES
O=CC1CCCO1
InChI Key
BBNYLDSWVXSNOQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O2/c6-4-5-2-1-3-7-5/h4-5H,1-3H2
Names and Synonyms
- Tetrahydro-2-Furancarboxaldehyde Synonym
- 2-Furancarboxaldehyde, tetrahydro- Synonym
- 2-Furaldehyde, tetrahydro- Synonym
- Tetrahydro-2-furancarboxaldehyde Synonym
- Tetrahydrofurfural Synonym
- 2-Formyltetrahydrofuran Synonym
- NSC 97502 Synonym
- Tetrahydro-2-furaldehyde Synonym
- Tetrahydrofuran-2-carbaldehyde 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 | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0749 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 142 °C | CAS Common Chemistry |
| Canonical SMILES | O=CC1OCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H8O2/c6-4-5-2-1-3-7-5/h4-5H,1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BBNYLDSWVXSNOQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tetrahydro-2-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 | 0.36429999999999996 | RDKit |
| 0.3643 | RDKit | |
| Molar Refractivity | 25.03799999999999 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
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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Quick conversion
MW = 100.12 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H8O2.
