27L
Summary
| Name: | 4-(2,4,4-trimethylpentan-2-yl)phenol |
| Formula: | C14 H22 O |
| Formal charge: | 0 |
| Formula weight: | 206.324 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(2,4,4-trimethylpentan-2-yl)phenol |
| OpenEye OEToolkits | 1.7.6 | 4-(2,4,4-trimethylpentan-2-yl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1ccc(cc1)C(CC(C)(C)C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3 |
| InChIKey | InChI | 1.03 | ISAVYTVYFVQUDY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)CC(C)(C)c1ccc(O)cc1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)CC(C)(C)c1ccc(O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)CC(C)(C)c1ccc(cc1)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)CC(C)(C)c1ccc(cc1)O |
