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Molecule
2-Ethylfuran
CAS: 3208-16-0 · C6H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3208-16-0
- Molecular Formula
- C6H8O
- Molecular Mass
- 96.13 g/mol
Identifiers
CAS Registry Number
3208-16-0
SMILES
CCc1ccco1
InChI Key
HLPIHRDZBHXTFJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
Names and Synonyms
- 2-Ethylfuran Systematic Name
- Furan, 2-ethyl- Synonym
- 2-Ethylfuran Synonym
- α-Ethylfuran Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 96.13 g/mol | CAS Common Chemistry |
| 96.12899999999998 g/mol | RDKit | |
| 96.129 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.912 g/cm3 @ 13 °C | CAS Common Chemistry | |
| Boiling Point | 92 °C | CAS Common Chemistry |
| Canonical SMILES | O1C=CC=C1CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HLPIHRDZBHXTFJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 140 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 2-Ethylfuran | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 13.14 Ų | RDKit |
| LogP | 1.842 | RDKit |
| Molar Refractivity | 28.08599999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| Exact Mass | 96.057514876 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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MW = 96.13 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8O.
