tert-butylbenzene;6-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;6-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2-methyl-1H-indole;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butylnaphthalene;methane

C133H182N6O3S2 — CID 161129300

About tert-butylbenzene;6-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;6-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2-methyl-1H-indole;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butylnaphthalene;methane

tert-butylbenzene;6-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;6-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2-methyl-1H-indole;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butylnaphthalene;methane (PubChem CID 161129300) has the molecular formula C133H182N6O3S2 and a molecular weight of 1977.09 g/mol. Its IUPAC name is tert-butylbenzene;6-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;6-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2-methyl-1H-indole;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butylnaphthalene;methane.

Molecular Properties

• Compound Name: tert-butylbenzene;6-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;6-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2-methyl-1H-indole;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butylnaphthalene;methane
• PubChem CID: 161129300
• Molecular Formula: C133H182N6O3S2
• Molecular Weight: 1977.09 g/mol
• Exact Mass: 1975.37
• IUPAC Name: tert-butylbenzene;6-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;6-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2-methyl-1H-indole;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butylnaphthalene;methane
• SMILES: C.C.CC(C)(C)C1CCc2ccccc21.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ccsc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1.CC(C)(C)c1cn2ccccc2n1.CN1CCCc2cc(C(C)(C)C)ccc21.Cc1cc2cc(C(C)(C)C)ccc2[nH]1.Cc1csc(C(C)(C)C)n1
• InChI: InChI=1S/C14H21N.C14H16.C13H17N.C13H18.C12H15N.C12H16O2.C12H16O.C12H14S.C11H14N2.C10H14.C8H13NS.2CH4/c1-14(2,3)12-7-8-13-11(10-12)6-5-9-15(13)4;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-10(2,3)9-7-5-4-6-8-9;1-6-5-10-7(9-6)8(2,3)4;;/h7-8,10H,5-6,9H2,1-4H3;4-10H,1-3H3;5-8,14H,1-4H3;4-7,12H,8-9H2,1-3H3;4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-5,8H,6-7H2,1-3H3;2*4-8H,1-3H3;4-8H,1-3H3;5H,1-4H3;2*1H4
• InChIKey: ULYWQBPCNSUBHT-UHFFFAOYSA-N
• XLogP: 38.02
• TPSA: 92.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1977.09
LogP ≤ 5	38.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;6-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;6-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2-methyl-1H-indole;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butylnaphthalene;methane?

The IUPAC name of tert-butylbenzene;6-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;6-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2-methyl-1H-indole;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butylnaphthalene;methane (CID 161129300) is tert-butylbenzene;6-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;6-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2-methyl-1H-indole;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butylnaphthalene;methane.

What is the SMILES notation for tert-butylbenzene;6-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;6-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2-methyl-1H-indole;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butylnaphthalene;methane?

The canonical SMILES for tert-butylbenzene;6-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;6-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2-methyl-1H-indole;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butylnaphthalene;methane is C.C.CC(C)(C)C1CCc2ccccc21.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2ccsc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1.CC(C)(C)c1cn2ccccc2n1.CN1CCCc2cc(C(C)(C)C)ccc21.Cc1cc2cc(C(C)(C)C)ccc2[nH]1.Cc1csc(C(C)(C)C)n1.

What is the InChIKey of tert-butylbenzene;6-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;6-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2-methyl-1H-indole;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butylnaphthalene;methane?

The InChIKey is ULYWQBPCNSUBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C14H16.C13H17N.C13H18.C12H15N.C12H16O2.C12H16O.C12H14S.C11H14N2.C10H14.C8H13NS.2CH4/c1-14(2,3)12-7-8-13-11(10-12)6-5-9-15(13)4;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-10(2,3)9-7-5-4-6-8-9;1-6-5-10-7(9-6)8(2,3)4;;/h7-8,10H,5-6,9H2,1-4H3;4-10H,1-3H3;5-8,14H,1-4H3;4-7,12H,8-9H2,1-3H3;4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-5,8H,6-7H2,1-3H3;2*4-8H,1-3H3;4-8H,1-3H3;5H,1-4H3;2*1H4.

What are the key properties of tert-butylbenzene;6-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;6-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2-methyl-1H-indole;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butylnaphthalene;methane?

tert-butylbenzene;6-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;6-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2-methyl-1H-indole;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butylnaphthalene;methane has a molecular weight of 1977.09 g/mol, XLogP of 38.02, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylbenzene;6-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;6-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2-methyl-1H-indole;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butylnaphthalene;methane is sourced from PubChem (CID 161129300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).