2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-ethoxy-4-propan-2-ylpyridine;1-tert-butyl-3-(2-methylbutan-2-yl)-5-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-tert-butyl-3-propan-2-yl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene;2-tert-butyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;bis(1,3-ditert-butyl-2-methyl-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;N-(2,2-dimethylpropyl)-4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;methane;2-[3-propan-2-yl-5-(trifluoromethyl)phenyl]propan-2-ol

C225H365F18N7O4 — CID 158823604

About 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-ethoxy-4-propan-2-ylpyridine;1-tert-butyl-3-(2-methylbutan-2-yl)-5-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-tert-butyl-3-propan-2-yl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene;2-tert-butyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;bis(1,3-ditert-butyl-2-methyl-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;N-(2,2-dimethylpropyl)-4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;methane;2-[3-propan-2-yl-5-(trifluoromethyl)phenyl]propan-2-ol

2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-ethoxy-4-propan-2-ylpyridine;1-tert-butyl-3-(2-methylbutan-2-yl)-5-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-tert-butyl-3-propan-2-yl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene;2-tert-butyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;bis(1,3-ditert-butyl-2-methyl-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;N-(2,2-dimethylpropyl)-4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;methane;2-[3-propan-2-yl-5-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 158823604) has the molecular formula C225H365F18N7O4 and a molecular weight of 3574.40 g/mol. Its IUPAC name is 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-ethoxy-4-propan-2-ylpyridine;1-tert-butyl-3-(2-methylbutan-2-yl)-5-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-tert-butyl-3-propan-2-yl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene;2-tert-butyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;bis(1,3-ditert-butyl-2-methyl-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;N-(2,2-dimethylpropyl)-4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;methane;2-[3-propan-2-yl-5-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-ethoxy-4-propan-2-ylpyridine;1-tert-butyl-3-(2-methylbutan-2-yl)-5-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-tert-butyl-3-propan-2-yl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene;2-tert-butyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;bis(1,3-ditert-butyl-2-methyl-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;N-(2,2-dimethylpropyl)-4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;methane;2-[3-propan-2-yl-5-(trifluoromethyl)phenyl]propan-2-ol
• PubChem CID: 158823604
• Molecular Formula: C225H365F18N7O4
• Molecular Weight: 3574.40 g/mol
• Exact Mass: 3571.83
• IUPAC Name: 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-ethoxy-4-propan-2-ylpyridine;1-tert-butyl-3-(2-methylbutan-2-yl)-5-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-tert-butyl-3-propan-2-yl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene;2-tert-butyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;bis(1,3-ditert-butyl-2-methyl-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;N-(2,2-dimethylpropyl)-4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;methane;2-[3-propan-2-yl-5-(trifluoromethyl)phenyl]propan-2-ol
• SMILES: C.C.C.C.C.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C(F)(F)F)c1.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cc(C(F)(F)F)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)nc(C(F)(F)F)c1.CC(C)c1cc(C(C)(C)O)cc(C(F)(F)F)c1.CC(C)c1cc(NCC(C)(C)C)nc(C(F)(F)F)c1.CC(C)c1cc(OCC(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(OCC(C)(C)C)nc(C(F)(F)F)c1.CCC(C)(C)c1cc(C(C)C)cc(C(C)(C)C)c1.CCOc1cc(C(C)C)cc(C(C)(C)C)n1.Cc1c(C(C)(C)C)cc(C(C)C)cc1C(C)(C)C.Cc1c(C(C)(C)C)cc(C(C)C)cc1C(C)(C)C
• InChI: InChI=1S/3C18H30.C17H25F3.C17H29NO.2C17H28.C16H27N.C14H21F3N2.C14H20F3NO.C14H19F3.C14H23NO.C13H18F3N.C13H17F3O.5CH4/c2*1-12(2)14-10-15(17(4,5)6)13(3)16(11-14)18(7,8)9;1-9-18(7,8)16-11-14(13(2)3)10-15(12-16)17(4,5)6;1-11(2)12-8-13(15(3,4)5)10-14(9-12)16(6,7)17(18,19)20;1-12(2)13-9-14(17(6,7)8)18-15(10-13)19-11-16(3,4)5;2*1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6,7)8;1-11(2)12-9-13(15(3,4)5)17-14(10-12)16(6,7)8;1-9(2)10-6-11(14(15,16)17)19-12(7-10)18-8-13(3,4)5;1-9(2)10-6-11(14(15,16)17)18-12(7-10)19-8-13(3,4)5;1-9(2)10-6-11(13(3,4)5)8-12(7-10)14(15,16)17;1-7-16-13-9-11(10(2)3)8-12(15-13)14(4,5)6;1-8(2)9-6-10(12(3,4)5)17-11(7-9)13(14,15)16;1-8(2)9-5-10(12(3,4)17)7-11(6-9)13(14,15)16;;;;;/h2*10-12H,1-9H3;10-13H,9H2,1-8H3;8-11H,1-7H3;9-10,12H,11H2,1-8H3;2*9-12H,1-8H3;9-11H,1-8H3;6-7,9H,8H2,1-5H3,(H,18,19);6-7,9H,8H2,1-5H3;6-9H,1-5H3;8-10H,7H2,1-6H3;6-8H,1-5H3;5-8,17H,1-4H3;5*1H4
• InChIKey: IWEGNCUVRCAHBJ-UHFFFAOYSA-N
• XLogP: 73.82
• TPSA: 137.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 26
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3574.40
LogP ≤ 5	73.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-ethoxy-4-propan-2-ylpyridine;1-tert-butyl-3-(2-methylbutan-2-yl)-5-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-tert-butyl-3-propan-2-yl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene;2-tert-butyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;bis(1,3-ditert-butyl-2-methyl-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;N-(2,2-dimethylpropyl)-4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;methane;2-[3-propan-2-yl-5-(trifluoromethyl)phenyl]propan-2-ol?

The IUPAC name of 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-ethoxy-4-propan-2-ylpyridine;1-tert-butyl-3-(2-methylbutan-2-yl)-5-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-tert-butyl-3-propan-2-yl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene;2-tert-butyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;bis(1,3-ditert-butyl-2-methyl-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;N-(2,2-dimethylpropyl)-4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;methane;2-[3-propan-2-yl-5-(trifluoromethyl)phenyl]propan-2-ol (CID 158823604) is 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-ethoxy-4-propan-2-ylpyridine;1-tert-butyl-3-(2-methylbutan-2-yl)-5-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-tert-butyl-3-propan-2-yl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene;2-tert-butyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;bis(1,3-ditert-butyl-2-methyl-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;N-(2,2-dimethylpropyl)-4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;methane;2-[3-propan-2-yl-5-(trifluoromethyl)phenyl]propan-2-ol.

What is the SMILES notation for 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-ethoxy-4-propan-2-ylpyridine;1-tert-butyl-3-(2-methylbutan-2-yl)-5-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-tert-butyl-3-propan-2-yl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene;2-tert-butyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;bis(1,3-ditert-butyl-2-methyl-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;N-(2,2-dimethylpropyl)-4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;methane;2-[3-propan-2-yl-5-(trifluoromethyl)phenyl]propan-2-ol?

The canonical SMILES for 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-ethoxy-4-propan-2-ylpyridine;1-tert-butyl-3-(2-methylbutan-2-yl)-5-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-tert-butyl-3-propan-2-yl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene;2-tert-butyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;bis(1,3-ditert-butyl-2-methyl-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;N-(2,2-dimethylpropyl)-4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;methane;2-[3-propan-2-yl-5-(trifluoromethyl)phenyl]propan-2-ol is C.C.C.C.C.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C(F)(F)F)c1.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cc(C(F)(F)F)c1.CC(C)c1cc(C(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)nc(C(F)(F)F)c1.CC(C)c1cc(C(C)(C)O)cc(C(F)(F)F)c1.CC(C)c1cc(NCC(C)(C)C)nc(C(F)(F)F)c1.CC(C)c1cc(OCC(C)(C)C)nc(C(C)(C)C)c1.CC(C)c1cc(OCC(C)(C)C)nc(C(F)(F)F)c1.CCC(C)(C)c1cc(C(C)C)cc(C(C)(C)C)c1.CCOc1cc(C(C)C)cc(C(C)(C)C)n1.Cc1c(C(C)(C)C)cc(C(C)C)cc1C(C)(C)C.Cc1c(C(C)(C)C)cc(C(C)C)cc1C(C)(C)C.

What is the InChIKey of 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-ethoxy-4-propan-2-ylpyridine;1-tert-butyl-3-(2-methylbutan-2-yl)-5-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-tert-butyl-3-propan-2-yl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene;2-tert-butyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;bis(1,3-ditert-butyl-2-methyl-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;N-(2,2-dimethylpropyl)-4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;methane;2-[3-propan-2-yl-5-(trifluoromethyl)phenyl]propan-2-ol?

The InChIKey is IWEGNCUVRCAHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H30.C17H25F3.C17H29NO.2C17H28.C16H27N.C14H21F3N2.C14H20F3NO.C14H19F3.C14H23NO.C13H18F3N.C13H17F3O.5CH4/c2*1-12(2)14-10-15(17(4,5)6)13(3)16(11-14)18(7,8)9;1-9-18(7,8)16-11-14(13(2)3)10-15(12-16)17(4,5)6;1-11(2)12-8-13(15(3,4)5)10-14(9-12)16(6,7)17(18,19)20;1-12(2)13-9-14(17(6,7)8)18-15(10-13)19-11-16(3,4)5;2*1-12(2)13-9-14(16(3,4)5)11-15(10-13)17(6,7)8;1-11(2)12-9-13(15(3,4)5)17-14(10-12)16(6,7)8;1-9(2)10-6-11(14(15,16)17)19-12(7-10)18-8-13(3,4)5;1-9(2)10-6-11(14(15,16)17)18-12(7-10)19-8-13(3,4)5;1-9(2)10-6-11(13(3,4)5)8-12(7-10)14(15,16)17;1-7-16-13-9-11(10(2)3)8-12(15-13)14(4,5)6;1-8(2)9-6-10(12(3,4)5)17-11(7-9)13(14,15)16;1-8(2)9-5-10(12(3,4)17)7-11(6-9)13(14,15)16;;;;;/h2*10-12H,1-9H3;10-13H,9H2,1-8H3;8-11H,1-7H3;9-10,12H,11H2,1-8H3;2*9-12H,1-8H3;9-11H,1-8H3;6-7,9H,8H2,1-5H3,(H,18,19);6-7,9H,8H2,1-5H3;6-9H,1-5H3;8-10H,7H2,1-6H3;6-8H,1-5H3;5-8,17H,1-4H3;5*1H4.

What are the key properties of 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-ethoxy-4-propan-2-ylpyridine;1-tert-butyl-3-(2-methylbutan-2-yl)-5-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-tert-butyl-3-propan-2-yl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene;2-tert-butyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;bis(1,3-ditert-butyl-2-methyl-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;N-(2,2-dimethylpropyl)-4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;methane;2-[3-propan-2-yl-5-(trifluoromethyl)phenyl]propan-2-ol?

2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-ethoxy-4-propan-2-ylpyridine;1-tert-butyl-3-(2-methylbutan-2-yl)-5-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-tert-butyl-3-propan-2-yl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene;2-tert-butyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;bis(1,3-ditert-butyl-2-methyl-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;N-(2,2-dimethylpropyl)-4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;methane;2-[3-propan-2-yl-5-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 3574.40 g/mol, XLogP of 73.82, 26 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine;2-tert-butyl-6-ethoxy-4-propan-2-ylpyridine;1-tert-butyl-3-(2-methylbutan-2-yl)-5-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-tert-butyl-3-propan-2-yl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene;2-tert-butyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;bis(1,3-ditert-butyl-2-methyl-5-propan-2-ylbenzene);bis(1,3-ditert-butyl-5-propan-2-ylbenzene);2,6-ditert-butyl-4-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-4-propan-2-yl-6-(trifluoromethyl)pyridine;N-(2,2-dimethylpropyl)-4-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine;methane;2-[3-propan-2-yl-5-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 158823604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).