4-tert-butyl-2-(tert-butylsulfonylmethyl)pyridine;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one

C136H216N6O11S2 — CID 161089912

About 4-tert-butyl-2-(tert-butylsulfonylmethyl)pyridine;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one

4-tert-butyl-2-(tert-butylsulfonylmethyl)pyridine;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one (PubChem CID 161089912) has the molecular formula C136H216N6O11S2 and a molecular weight of 2175.39 g/mol. Its IUPAC name is 4-tert-butyl-2-(tert-butylsulfonylmethyl)pyridine;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one.

Molecular Properties

• Compound Name: 4-tert-butyl-2-(tert-butylsulfonylmethyl)pyridine;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one
• PubChem CID: 161089912
• Molecular Formula: C136H216N6O11S2
• Molecular Weight: 2175.39 g/mol
• Exact Mass: 2173.60
• IUPAC Name: 4-tert-butyl-2-(tert-butylsulfonylmethyl)pyridine;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one
• SMILES: CC(C)(C)C(=O)Cc1cc(C(C)(C)C)ccn1.CC(C)(C)CC(=O)c1ccc(CC(C)(C)C)cc1.CC(C)(C)CCc1cccc(C(C)(C)C)c1.CC(C)(C)CCc1ccnc(C(C)(C)C)c1.CC(C)(C)Cc1cccc(C(C)(C)C)c1.CC(C)(C)NC(=O)c1cc(OC(C)(C)C)ccn1.CC(C)(C)Oc1cccc(CS(=O)(=O)C(C)(C)C)c1.CC(C)(C)Oc1ccnc(CC(=O)C(C)(C)C)c1.CC(C)(C)c1ccnc(CS(=O)(=O)C(C)(C)C)c1
• InChI: InChI=1S/C17H26O.C16H26.C15H23NO2.C15H23NO.C15H25N.C15H24O3S.C15H24.C14H22N2O2.C14H23NO2S/c1-16(2,3)11-13-7-9-14(10-8-13)15(18)12-17(4,5)6;1-15(2,3)11-10-13-8-7-9-14(12-13)16(4,5)6;1-14(2,3)13(17)10-11-9-12(7-8-16-11)18-15(4,5)6;1-14(2,3)11-7-8-16-12(9-11)10-13(17)15(4,5)6;1-14(2,3)9-7-12-8-10-16-13(11-12)15(4,5)6;1-14(2,3)18-13-9-7-8-12(10-13)11-19(16,17)15(4,5)6;1-14(2,3)11-12-8-7-9-13(10-12)15(4,5)6;1-13(2,3)16-12(17)11-9-10(7-8-15-11)18-14(4,5)6;1-13(2,3)11-7-8-15-12(9-11)10-18(16,17)14(4,5)6/h7-10H,11-12H2,1-6H3;7-9,12H,10-11H2,1-6H3;7-9H,10H2,1-6H3;7-9H,10H2,1-6H3;8,10-11H,7,9H2,1-6H3;7-10H,11H2,1-6H3;7-10H,11H2,1-6H3;7-9H,1-6H3,(H,16,17);7-9H,10H2,1-6H3
• InChIKey: UHAMXVIFCNHMSG-UHFFFAOYSA-N
• XLogP: 35.20
• TPSA: 240.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2175.39
LogP ≤ 5	35.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(tert-butylsulfonylmethyl)pyridine;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one?

The IUPAC name of 4-tert-butyl-2-(tert-butylsulfonylmethyl)pyridine;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one (CID 161089912) is 4-tert-butyl-2-(tert-butylsulfonylmethyl)pyridine;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one.

What is the SMILES notation for 4-tert-butyl-2-(tert-butylsulfonylmethyl)pyridine;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one?

The canonical SMILES for 4-tert-butyl-2-(tert-butylsulfonylmethyl)pyridine;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one is CC(C)(C)C(=O)Cc1cc(C(C)(C)C)ccn1.CC(C)(C)CC(=O)c1ccc(CC(C)(C)C)cc1.CC(C)(C)CCc1cccc(C(C)(C)C)c1.CC(C)(C)CCc1ccnc(C(C)(C)C)c1.CC(C)(C)Cc1cccc(C(C)(C)C)c1.CC(C)(C)NC(=O)c1cc(OC(C)(C)C)ccn1.CC(C)(C)Oc1cccc(CS(=O)(=O)C(C)(C)C)c1.CC(C)(C)Oc1ccnc(CC(=O)C(C)(C)C)c1.CC(C)(C)c1ccnc(CS(=O)(=O)C(C)(C)C)c1.

What is the InChIKey of 4-tert-butyl-2-(tert-butylsulfonylmethyl)pyridine;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one?

The InChIKey is UHAMXVIFCNHMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O.C16H26.C15H23NO2.C15H23NO.C15H25N.C15H24O3S.C15H24.C14H22N2O2.C14H23NO2S/c1-16(2,3)11-13-7-9-14(10-8-13)15(18)12-17(4,5)6;1-15(2,3)11-10-13-8-7-9-14(12-13)16(4,5)6;1-14(2,3)13(17)10-11-9-12(7-8-16-11)18-15(4,5)6;1-14(2,3)11-7-8-16-12(9-11)10-13(17)15(4,5)6;1-14(2,3)9-7-12-8-10-16-13(11-12)15(4,5)6;1-14(2,3)18-13-9-7-8-12(10-13)11-19(16,17)15(4,5)6;1-14(2,3)11-12-8-7-9-13(10-12)15(4,5)6;1-13(2,3)16-12(17)11-9-10(7-8-15-11)18-14(4,5)6;1-13(2,3)11-7-8-15-12(9-11)10-18(16,17)14(4,5)6/h7-10H,11-12H2,1-6H3;7-9,12H,10-11H2,1-6H3;7-9H,10H2,1-6H3;7-9H,10H2,1-6H3;8,10-11H,7,9H2,1-6H3;7-10H,11H2,1-6H3;7-10H,11H2,1-6H3;7-9H,1-6H3,(H,16,17);7-9H,10H2,1-6H3.

What are the key properties of 4-tert-butyl-2-(tert-butylsulfonylmethyl)pyridine;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one?

4-tert-butyl-2-(tert-butylsulfonylmethyl)pyridine;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one has a molecular weight of 2175.39 g/mol, XLogP of 35.20, 20 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-(tert-butylsulfonylmethyl)pyridine;1-tert-butyl-3-(3,3-dimethylbutyl)benzene;2-tert-butyl-4-(3,3-dimethylbutyl)pyridine;1-tert-butyl-3-(2,2-dimethylpropyl)benzene;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide;1-(4-tert-butyl-2-pyridinyl)-3,3-dimethylbutan-2-one;1-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;3,3-dimethyl-1-[4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]butan-2-one;1-[4-(2,2-dimethylpropyl)phenyl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 161089912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).