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5-Ethyl-4-Hydroxy-2-Methyl-3(2H)-Furanone
CAS: 27538-09-6 | C7H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27538-09-6
Molecular Formula:
C7H10O3
Molecular Mass:
142.15 g/mol
Names and Synonyms:
5-Ethyl-4-Hydroxy-2-Methyl-3(2H)-Furanone
2-Ethyl-5-methyl-4,5-dihydrofuran-3-ol-4-one
4-Hydroxy-2-methyl-5-ethyl-2,3-dihydrofuran-3-one
4-Hydroxy-5-ethyl-2-methyl-3(2H)-furanone
2-Methyl-4-hydroxy-5-ethylfuran-3-one
HEMF
Homofuraneol
Homofuronol
3(2H)-Furanone, 5-ethyl-4-hydroxy-2-methyl-
5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone
5-Ethyl-2-methyl-4-hydroxy-2,3-dihydrofuran-3-one
2-Methyl-5-ethyl-4-hydroxy-2,3-dihydrofuran-3-one
5-Ethyl-2,3-dihydro-4-hydroxy-2-methyl-3-furanone
Identifiers:
SMILES:
CCC1=C(O)C(=O)C(C)O1
InChI:
InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h4,9H,3H2,1-2H3
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.15 g/mol | CAS Common Chemistry |
| 142.15399999999997 g/mol | RDKit | |
| 142.06299418 g/mol | RDKit | |
| Canonical SMILES | O=C1C(O)=C(OC1C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h4,9H,3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QJYOEDXNPLUUAR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 1.1538 | RDKit |
| Molar Refractivity | 35.4998 | RDKit |
