Back to Search
Molecule
5-Ethyl-2-Furaldehyde
CAS: 23074-10-4 · C7H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 23074-10-4
- Molecular Formula
- C7H8O2
- Molecular Mass
- 124.14 g/mol
Identifiers
CAS Registry Number
23074-10-4
SMILES
CCc1ccc(C=O)o1
InChI Key
XADGZBXFWQHBDB-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O2/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3
Names and Synonyms
- 5-Ethyl-2-Furaldehyde Systematic Name
- 2-Furancarboxaldehyde, 5-ethyl- Synonym
- 2-Furaldehyde, 5-ethyl- Synonym
- 5-Ethyl-2-furancarboxaldehyde Synonym
- 5-Ethylfurfural Synonym
- 5-Ethyl-2-furaldehyde Synonym
- 5-Ethyl-2-furfural Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 124.14 g/mol | CAS Common Chemistry |
| 124.13899999999997 g/mol | RDKit | |
| 124.139 g/mol | RDKit | |
| Canonical SMILES | O=CC=1OC(=CC1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C7H8O2/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XADGZBXFWQHBDB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 5-Ethyl-2-furaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 30.21 Ų | RDKit |
| LogP | 1.6544999999999999 | RDKit |
| 1.6545 | RDKit | |
| Molar Refractivity | 33.473499999999994 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 124.052429496 g/mol | RDKit |
| Boiling Point | 79-81 °C @ 12 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
Convert
Quick conversion
MW = 124.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H8O2.
