9NI
Summary
| Name: | 1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene |
| Formula: | C10 H16 |
| Formal charge: | 0 |
| Formula weight: | 136.234 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene |
| OpenEye OEToolkits | 2.0.7 | 1-methyl-4-propan-2-yl-cyclohexa-1,4-diene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1=CCC(=CC1)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3 |
| InChIKey | InChI | 1.03 | YKFLAYDHMOASIY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C1=CCC(=CC1)C |
| SMILES | CACTVS | 3.385 | CC(C)C1=CCC(=CC1)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CCC(=CC1)C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CCC(=CC1)C(C)C |
