1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyloxane;2-tert-butylphenol;4-[2-(2-tert-butylphenoxy)ethyl]morpholine;2-chloro-6-methylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-yl-2-(trifluoromethyl)pyridine

C198H276ClF3N24O11 — CID 159079535

About 1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyloxane;2-tert-butylphenol;4-[2-(2-tert-butylphenoxy)ethyl]morpholine;2-chloro-6-methylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-yl-2-(trifluoromethyl)pyridine

1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyloxane;2-tert-butylphenol;4-[2-(2-tert-butylphenoxy)ethyl]morpholine;2-chloro-6-methylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 159079535) has the molecular formula C198H276ClF3N24O11 and a molecular weight of 3260.99 g/mol. Its IUPAC name is 1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyloxane;2-tert-butylphenol;4-[2-(2-tert-butylphenoxy)ethyl]morpholine;2-chloro-6-methylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyloxane;2-tert-butylphenol;4-[2-(2-tert-butylphenoxy)ethyl]morpholine;2-chloro-6-methylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-yl-2-(trifluoromethyl)pyridine
• PubChem CID: 159079535
• Molecular Formula: C198H276ClF3N24O11
• Molecular Weight: 3260.99 g/mol
• Exact Mass: 3258.14
• IUPAC Name: 1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyloxane;2-tert-butylphenol;4-[2-(2-tert-butylphenoxy)ethyl]morpholine;2-chloro-6-methylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-yl-2-(trifluoromethyl)pyridine
• SMILES: CC(C)(C)C1CCOCC1.CC(C)(C)c1ccccc1O.CC(C)(C)c1ccccc1OCCN1CCOCC1.CC(C)c1ccc(N)cn1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cccc(C#N)n1.CC(C)c1cccc(N)n1.CC(C)c1ccccn1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(N)c1.COC(=O)c1cc(C(C)C)ccn1.COC(=O)c1ccc(C(C)C)nc1.COC(=O)c1cccc(C(C)C)n1.COc1cccc(C(C)C)n1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1cccc(Cl)n1.Cc1ccccc1C(C)(C)C.Cc1cccnc1C(C)(C)C.Cc1ccnc(C(C)C)c1
• InChI: InChI=1S/C16H25NO2.C11H16.2C10H12N2.3C10H13NO2.C10H15N.C10H14O.C9H10F3N.C9H10N2.C9H13NO.3C9H13N.C9H18O.3C8H12N2.C8H11N.C6H6ClN/c1-16(2,3)14-6-4-5-7-15(14)19-13-10-17-8-11-18-12-9-17;1-9-7-5-6-8-10(9)11(2,3)4;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)9-5-4-8(6-11-9)10(12)13-3;1-7(2)8-4-5-11-9(6-8)10(12)13-3;1-7(2)8-5-4-6-9(11-8)10(12)13-3;1-8-6-5-7-11-9(8)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)9-5-3-4-8(6-10)11-9;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-9(2,3)8-4-6-10-7-5-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-5-3-4-6-9-8;1-5-3-2-4-6(7)8-5/h4-7H,8-13H2,1-3H3;5-8H,1-4H3;2*3-7H,1-2H3,(H,11,12);3*4-7H,1-3H3;5-7H,1-4H3;4-7,11H,1-3H3;3-6H,1-2H3;3-5,7H,1-2H3;4-7H,1-3H3;3*4-7H,1-3H3;8H,4-7H2,1-3H3;3-6H,9H2,1-2H3;2*3-6H,1-2H3,(H2,9,10);3-7H,1-2H3;2-4H,1H3
• InChIKey: KARJNDHTAYBRTO-UHFFFAOYSA-N
• XLogP: 49.84
• TPSA: 491.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3260.99
LogP ≤ 5	49.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyloxane;2-tert-butylphenol;4-[2-(2-tert-butylphenoxy)ethyl]morpholine;2-chloro-6-methylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-yl-2-(trifluoromethyl)pyridine?

The IUPAC name of 1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyloxane;2-tert-butylphenol;4-[2-(2-tert-butylphenoxy)ethyl]morpholine;2-chloro-6-methylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-yl-2-(trifluoromethyl)pyridine (CID 159079535) is 1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyloxane;2-tert-butylphenol;4-[2-(2-tert-butylphenoxy)ethyl]morpholine;2-chloro-6-methylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-yl-2-(trifluoromethyl)pyridine.

What is the SMILES notation for 1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyloxane;2-tert-butylphenol;4-[2-(2-tert-butylphenoxy)ethyl]morpholine;2-chloro-6-methylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-yl-2-(trifluoromethyl)pyridine?

The canonical SMILES for 1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyloxane;2-tert-butylphenol;4-[2-(2-tert-butylphenoxy)ethyl]morpholine;2-chloro-6-methylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)(C)C1CCOCC1.CC(C)(C)c1ccccc1O.CC(C)(C)c1ccccc1OCCN1CCOCC1.CC(C)c1ccc(N)cn1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cccc(C#N)n1.CC(C)c1cccc(N)n1.CC(C)c1ccccn1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(N)c1.COC(=O)c1cc(C(C)C)ccn1.COC(=O)c1ccc(C(C)C)nc1.COC(=O)c1cccc(C(C)C)n1.COc1cccc(C(C)C)n1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1cccc(Cl)n1.Cc1ccccc1C(C)(C)C.Cc1cccnc1C(C)(C)C.Cc1ccnc(C(C)C)c1.

What is the InChIKey of 1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyloxane;2-tert-butylphenol;4-[2-(2-tert-butylphenoxy)ethyl]morpholine;2-chloro-6-methylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-yl-2-(trifluoromethyl)pyridine?

The InChIKey is KARJNDHTAYBRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.C11H16.2C10H12N2.3C10H13NO2.C10H15N.C10H14O.C9H10F3N.C9H10N2.C9H13NO.3C9H13N.C9H18O.3C8H12N2.C8H11N.C6H6ClN/c1-16(2,3)14-6-4-5-7-15(14)19-13-10-17-8-11-18-12-9-17;1-9-7-5-6-8-10(9)11(2,3)4;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)9-5-4-8(6-11-9)10(12)13-3;1-7(2)8-4-5-11-9(6-8)10(12)13-3;1-7(2)8-5-4-6-9(11-8)10(12)13-3;1-8-6-5-7-11-9(8)10(2,3)4;1-10(2,3)8-6-4-5-7-9(8)11;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)9-5-3-4-8(6-10)11-9;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-9(2,3)8-4-6-10-7-5-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-5-3-4-6-9-8;1-5-3-2-4-6(7)8-5/h4-7H,8-13H2,1-3H3;5-8H,1-4H3;2*3-7H,1-2H3,(H,11,12);3*4-7H,1-3H3;5-7H,1-4H3;4-7,11H,1-3H3;3-6H,1-2H3;3-5,7H,1-2H3;4-7H,1-3H3;3*4-7H,1-3H3;8H,4-7H2,1-3H3;3-6H,9H2,1-2H3;2*3-6H,1-2H3,(H2,9,10);3-7H,1-2H3;2-4H,1H3.

What are the key properties of 1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyloxane;2-tert-butylphenol;4-[2-(2-tert-butylphenoxy)ethyl]morpholine;2-chloro-6-methylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-yl-2-(trifluoromethyl)pyridine?

1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyloxane;2-tert-butylphenol;4-[2-(2-tert-butylphenoxy)ethyl]morpholine;2-chloro-6-methylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 3260.99 g/mol, XLogP of 49.84, 23 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2-methylbenzene;2-tert-butyl-3-methylpyridine;4-tert-butyloxane;2-tert-butylphenol;4-[2-(2-tert-butylphenoxy)ethyl]morpholine;2-chloro-6-methylpyridine;2-methoxy-6-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 159079535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).