4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzonitrile;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;3-tert-butylfuran;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)ethanone;4-tert-butylpyridine;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylbutane;3,3-dimethylbut-1-ene;2,2-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;ethane;2-methyl-2-(trifluoromethoxy)propane

C152H238F7N3O6S2 — CID 159883637

About 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzonitrile;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;3-tert-butylfuran;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)ethanone;4-tert-butylpyridine;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylbutane;3,3-dimethylbut-1-ene;2,2-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;ethane;2-methyl-2-(trifluoromethoxy)propane

4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzonitrile;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;3-tert-butylfuran;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)ethanone;4-tert-butylpyridine;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylbutane;3,3-dimethylbut-1-ene;2,2-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;ethane;2-methyl-2-(trifluoromethoxy)propane (PubChem CID 159883637) has the molecular formula C152H238F7N3O6S2 and a molecular weight of 2400.71 g/mol. Its IUPAC name is 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzonitrile;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;3-tert-butylfuran;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)ethanone;4-tert-butylpyridine;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylbutane;3,3-dimethylbut-1-ene;2,2-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;ethane;2-methyl-2-(trifluoromethoxy)propane.

Molecular Properties

• Compound Name: 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzonitrile;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;3-tert-butylfuran;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)ethanone;4-tert-butylpyridine;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylbutane;3,3-dimethylbut-1-ene;2,2-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;ethane;2-methyl-2-(trifluoromethoxy)propane
• PubChem CID: 159883637
• Molecular Formula: C152H238F7N3O6S2
• Molecular Weight: 2400.71 g/mol
• Exact Mass: 2398.77
• IUPAC Name: 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzonitrile;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;3-tert-butylfuran;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)ethanone;4-tert-butylpyridine;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylbutane;3,3-dimethylbut-1-ene;2,2-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;ethane;2-methyl-2-(trifluoromethoxy)propane
• SMILES: C/C=C\C(C)(C)C.C=CC(C)(C)C.CC.CC(=O)c1ccc(C(C)(C)C)cc1.CC(C)(C)C1CC1.CC(C)(C)OC(F)(F)F.CC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CCC(C)(C)C.CCCC(C)(C)C.Cc1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C12H16O.C11H13F3.C11H15NO.C11H13N.C11H16O2S.C11H16.C10H13F.C10H14.C9H13N.C8H12O.C8H12S.C7H14.C7H16.C7H14.C6H14.C6H12.C5H9F3O.C2H6/c1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)10-6-4-9(8-12)5-7-10;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;2*1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-5-6;2*1-5-6-7(2,3)4;2*1-5-6(2,3)4;1-4(2,3)9-5(6,7)8;1-2/h5-8H,1-4H3;4-7H,1-3H3;4-7H,1-3H3,(H2,12,13);4-7H,1-3H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;6H,4-5H2,1-3H3;5-6H2,1-4H3;5-6H,1-4H3;5H2,1-4H3;5H,1H2,2-4H3;1-3H3;1-2H3/b;;;;;;;;;;;;;6-5-
• InChIKey: NTVVVANYHQVOQX-KKMZOTHRSA-N
• XLogP: 47.81
• TPSA: 153.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2400.71
LogP ≤ 5	47.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzonitrile;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;3-tert-butylfuran;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)ethanone;4-tert-butylpyridine;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylbutane;3,3-dimethylbut-1-ene;2,2-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;ethane;2-methyl-2-(trifluoromethoxy)propane?

The IUPAC name of 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzonitrile;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;3-tert-butylfuran;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)ethanone;4-tert-butylpyridine;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylbutane;3,3-dimethylbut-1-ene;2,2-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;ethane;2-methyl-2-(trifluoromethoxy)propane (CID 159883637) is 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzonitrile;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;3-tert-butylfuran;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)ethanone;4-tert-butylpyridine;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylbutane;3,3-dimethylbut-1-ene;2,2-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;ethane;2-methyl-2-(trifluoromethoxy)propane.

What is the SMILES notation for 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzonitrile;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;3-tert-butylfuran;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)ethanone;4-tert-butylpyridine;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylbutane;3,3-dimethylbut-1-ene;2,2-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;ethane;2-methyl-2-(trifluoromethoxy)propane?

The canonical SMILES for 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzonitrile;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;3-tert-butylfuran;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)ethanone;4-tert-butylpyridine;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylbutane;3,3-dimethylbut-1-ene;2,2-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;ethane;2-methyl-2-(trifluoromethoxy)propane is C/C=C\C(C)(C)C.C=CC(C)(C)C.CC.CC(=O)c1ccc(C(C)(C)C)cc1.CC(C)(C)C1CC1.CC(C)(C)OC(F)(F)F.CC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CCC(C)(C)C.CCCC(C)(C)C.Cc1ccc(C(C)(C)C)cc1.

What is the InChIKey of 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzonitrile;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;3-tert-butylfuran;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)ethanone;4-tert-butylpyridine;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylbutane;3,3-dimethylbut-1-ene;2,2-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;ethane;2-methyl-2-(trifluoromethoxy)propane?

The InChIKey is NTVVVANYHQVOQX-KKMZOTHRSA-N. The full InChI is InChI=1S/C12H16O.C11H13F3.C11H15NO.C11H13N.C11H16O2S.C11H16.C10H13F.C10H14.C9H13N.C8H12O.C8H12S.C7H14.C7H16.C7H14.C6H14.C6H12.C5H9F3O.C2H6/c1-9(13)10-5-7-11(8-6-10)12(2,3)4;1-10(2,3)8-4-6-9(7-5-8)11(12,13)14;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)10-6-4-9(8-12)5-7-10;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;2*1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-5-6;2*1-5-6-7(2,3)4;2*1-5-6(2,3)4;1-4(2,3)9-5(6,7)8;1-2/h5-8H,1-4H3;4-7H,1-3H3;4-7H,1-3H3,(H2,12,13);4-7H,1-3H3;5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3;6H,4-5H2,1-3H3;5-6H2,1-4H3;5-6H,1-4H3;5H2,1-4H3;5H,1H2,2-4H3;1-3H3;1-2H3/b;;;;;;;;;;;;;6-5-;;;;.

What are the key properties of 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzonitrile;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;3-tert-butylfuran;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)ethanone;4-tert-butylpyridine;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylbutane;3,3-dimethylbut-1-ene;2,2-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;ethane;2-methyl-2-(trifluoromethoxy)propane?

4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzonitrile;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;3-tert-butylfuran;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)ethanone;4-tert-butylpyridine;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylbutane;3,3-dimethylbut-1-ene;2,2-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;ethane;2-methyl-2-(trifluoromethoxy)propane has a molecular weight of 2400.71 g/mol, XLogP of 47.81, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzonitrile;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;3-tert-butylfuran;1-tert-butyl-4-methylbenzene;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)ethanone;4-tert-butylpyridine;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethyl)benzene;2,2-dimethylbutane;3,3-dimethylbut-1-ene;2,2-dimethylpentane;(Z)-4,4-dimethylpent-2-ene;ethane;2-methyl-2-(trifluoromethoxy)propane is sourced from PubChem (CID 159883637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).