2XX
Summary
| Name: | (2R)-2-ethyl-4-hydroxy-5-methylfuran-3(2H)-one |
| Formula: | C7 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 142.152 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-ethyl-4-hydroxy-5-methylfuran-3(2H)-one |
| OpenEye OEToolkits | 1.7.6 | (2R)-2-ethyl-5-methyl-4-oxidanyl-furan-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(O)=C(OC1CC)C |
| InChI | InChI | 1.03 | InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | GWCRPYGYVRXVLI-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC[C@H]1OC(=C(O)C1=O)C |
| SMILES | CACTVS | 3.370 | CC[CH]1OC(=C(O)C1=O)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC[C@@H]1C(=O)C(=C(O1)C)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC1C(=O)C(=C(O1)C)O |
