ADO
Summary
| Name: | ADAMANTANONE |
| Formula: | C10 H14 O |
| Formal charge: | 0 |
| Formula weight: | 150.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1r,3r,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-2-one |
| OpenEye OEToolkits | 1.5.0 | adamantan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C2CC3CC1CC(C2)C3 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1C2CC3CC(C2)CC1C3 |
| SMILES | CACTVS | 3.341 | O=C1C2CC3CC(C2)CC1C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C2CC3CC1CC(C2)C3=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C2CC3CC1CC(C2)C3=O |
| InChI | InChI | 1.03 | InChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2/t6-,7+,8-,9+ |
| InChIKey | InChI | 1.03 | IYKFYARMMIESOX-SPJNRGJMSA-N |
