CAH
Summary
| Name: | 5-EXO-HYDROXYCAMPHOR |
| Formula: | C10 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 168.233 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R,4R,5R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one |
| OpenEye OEToolkits | 1.5.0 | (1R,3R,4R)-3-hydroxy-1,7,7-trimethyl-bicyclo[2.2.1]heptan-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1CC2C(C)(C1(CC2O)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)[C@H]2CC(=O)[C@]1(C)C[C@H]2O |
| SMILES | CACTVS | 3.341 | CC1(C)[CH]2CC(=O)[C]1(C)C[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(C2CC(=O)C1(CC2O)C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3/t6-,7+,10-/m0/s1 |
| InChIKey | InChI | 1.03 | DJQYBVLXBVJHMU-PJKMHFRUSA-N |
