CNL
Summary
| Name: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE |
| Synonyms: | 1,8-CINEOLE |
| Formula: | C10 H18 O |
| Formal charge: | 0 |
| Formula weight: | 154.249 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane |
| OpenEye OEToolkits | 1.5.0 | 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O2C1(CCC(CC1)C2(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC12CCC(CC1)C(C)(C)O2 |
| SMILES | CACTVS | 3.341 | CC12CCC(CC1)C(C)(C)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1(C2CCC(O1)(CC2)C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(C2CCC(O1)(CC2)C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+ |
| InChIKey | InChI | 1.03 | WEEGYLXZBRQIMU-WAAGHKOSSA-N |
