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 |