TON
Summary
| Name: | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL |
| Formula: | C18 H30 O3 |
| Formal charge: | 0 |
| Formula weight: | 294.429 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethanol |
| OpenEye OEToolkits | 1.5.0 | 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCO |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)CC(C)(C)c1ccc(OCCOCCO)cc1 |
| SMILES | CACTVS | 3.341 | CC(C)(C)CC(C)(C)c1ccc(OCCOCCO)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCO |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCO |
| InChI | InChI | 1.03 | InChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3 |
| InChIKey | InChI | 1.03 | LBCZOTMMGHGTPH-UHFFFAOYSA-N |
