1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;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-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;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;methane

C136H219N5O10S2 — CID 158842843

About 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;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-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;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;methane

1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;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-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;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;methane (PubChem CID 158842843) has the molecular formula C136H219N5O10S2 and a molecular weight of 2148.41 g/mol. Its IUPAC name is 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;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-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;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;methane.

Molecular Properties

• Compound Name: 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;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-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;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;methane
• PubChem CID: 158842843
• Molecular Formula: C136H219N5O10S2
• Molecular Weight: 2148.41 g/mol
• Exact Mass: 2146.62
• IUPAC Name: 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;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-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;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;methane
• SMILES: C.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)c1cccc(CS(=O)(=O)C(C)(C)C)c1.CC(C)(C)c1ccnc(C(C)(C)C)c1
• InChI: InChI=1S/C17H26O.C16H26.C15H23NO2.C15H25N.C15H24O3S.C15H24O2S.C15H24.C14H22N2O2.C13H21N.CH4/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)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)13-9-7-8-12(10-13)11-18(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;1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;/h7-10H,11-12H2,1-6H3;7-9,12H,10-11H2,1-6H3;7-9H,10H2,1-6H3;8,10-11H,7,9H2,1-6H3;7-10H,11H2,1-6H3;7-10H,11H2,1-6H3;7-10H,11H2,1-6H3;7-9H,1-6H3,(H,16,17);7-9H,1-6H3;1H4
• InChIKey: IYLPVZYMJWAUFP-UHFFFAOYSA-N
• XLogP: 36.58
• TPSA: 210.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2148.41
LogP ≤ 5	36.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;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-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;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;methane?

The IUPAC name of 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;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-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;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;methane (CID 158842843) is 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;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-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;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;methane.

What is the SMILES notation for 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;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-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;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;methane?

The canonical SMILES for 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;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-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;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;methane is C.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)c1cccc(CS(=O)(=O)C(C)(C)C)c1.CC(C)(C)c1ccnc(C(C)(C)C)c1.

What is the InChIKey of 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;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-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;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;methane?

The InChIKey is IYLPVZYMJWAUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O.C16H26.C15H23NO2.C15H25N.C15H24O3S.C15H24O2S.C15H24.C14H22N2O2.C13H21N.CH4/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)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)13-9-7-8-12(10-13)11-18(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;1-12(2,3)10-7-8-14-11(9-10)13(4,5)6;/h7-10H,11-12H2,1-6H3;7-9,12H,10-11H2,1-6H3;7-9H,10H2,1-6H3;8,10-11H,7,9H2,1-6H3;7-10H,11H2,1-6H3;7-10H,11H2,1-6H3;7-10H,11H2,1-6H3;7-9H,1-6H3,(H,16,17);7-9H,1-6H3;1H4.

What are the key properties of 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;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-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;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;methane?

1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;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-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;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;methane has a molecular weight of 2148.41 g/mol, XLogP of 36.58, 18 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-(tert-butylsulfonylmethyl)benzene;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-(tert-butylsulfonylmethyl)-3-[(2-methylpropan-2-yl)oxy]benzene;2,4-ditert-butylpyridine;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;methane is sourced from PubChem (CID 158842843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).