V8G
Summary
| Name: | trans-4-butylcyclohexane-1-carboxylic acid |
| Formula: | C11 H20 O2 |
| Formal charge: | 0 |
| Formula weight: | 184.275 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | trans-4-butylcyclohexane-1-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 4-butylcyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1C(C(=O)O)CCC(C1)CCCC |
| InChI | InChI | 1.03 | InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10- |
| InChIKey | InChI | 1.03 | BALGERHMIXFENA-MGCOHNPYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@H]1CC[C@@H](CC1)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCC[CH]1CC[CH](CC1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCC1CCC(CC1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC1CCC(CC1)C(=O)O |
