tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

C186H244F4N8O17 — CID 159620322

About tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (PubChem CID 159620322) has the molecular formula C186H244F4N8O17 and a molecular weight of 2940.03 g/mol. Its IUPAC name is tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.

Molecular Properties

• Compound Name: tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
• PubChem CID: 159620322
• Molecular Formula: C186H244F4N8O17
• Molecular Weight: 2940.03 g/mol
• Exact Mass: 2937.84
• IUPAC Name: tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
• SMILES: CC(C)(C)C1CCOc2ccccc21.CC(C)(C)c1ccc2[nH]cc(C3=CCNCC3)c2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC1(C)Oc2ccc(C(C)(C)C)cc2O1.Cc1cc2c(cc1C(C)(C)C)OCO2.Cn1nccc1C(C)(C)C
• InChI: InChI=1S/C17H22N2.C13H18O2.2C13H18O.2C12H16O2.C12H16O.C12H14O.2C11H12F2O2.C11H14N2.C11H13NO.C11H14O2.C10H14.C9H13N.C8H14N2/c1-17(2,3)13-4-5-16-14(10-13)15(11-19-16)12-6-8-18-9-7-12;1-12(2,3)9-6-7-10-11(8-9)15-13(4,5)14-10;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-8-5-10-11(14-7-13-10)6-9(8)12(2,3)4;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-10(2,3)7-4-5-8-9(6-7)15-11(12,13)14-8;1-10(2,3)7-5-4-6-8-9(7)15-11(12,13)14-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-6-9-10(7)4/h4-6,10-11,18-19H,7-9H2,1-3H3;6-8H,1-5H3;6-7,9H,4-5,8H2,1-3H3;4-7,11H,8-9H2,1-3H3;5-6H,7H2,1-4H3;4-5,8H,6-7H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3;5-6H,1-4H3
• InChIKey: MNUVPTNHQSJMRU-UHFFFAOYSA-N
• XLogP: 49.06
• TPSA: 264.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 1
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2940.03
LogP ≤ 5	49.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?

The IUPAC name of tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (CID 159620322) is tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.

What is the SMILES notation for tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?

The canonical SMILES for tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is CC(C)(C)C1CCOc2ccccc21.CC(C)(C)c1ccc2[nH]cc(C3=CCNCC3)c2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CCCO2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OC(F)(F)O2.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC1(C)Oc2ccc(C(C)(C)C)cc2O1.Cc1cc2c(cc1C(C)(C)C)OCO2.Cn1nccc1C(C)(C)C.

What is the InChIKey of tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?

The InChIKey is MNUVPTNHQSJMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2.C13H18O2.2C13H18O.2C12H16O2.C12H16O.C12H14O.2C11H12F2O2.C11H14N2.C11H13NO.C11H14O2.C10H14.C9H13N.C8H14N2/c1-17(2,3)13-4-5-16-14(10-13)15(11-19-16)12-6-8-18-9-7-12;1-12(2,3)9-6-7-10-11(8-9)15-13(4,5)14-10;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-8-5-10-11(14-7-13-10)6-9(8)12(2,3)4;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-10(2,3)7-4-5-8-9(6-7)15-11(12,13)14-8;1-10(2,3)7-5-4-6-8-9(7)15-11(12,13)14-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-6-9-10(7)4/h4-6,10-11,18-19H,7-9H2,1-3H3;6-8H,1-5H3;6-7,9H,4-5,8H2,1-3H3;4-7,11H,8-9H2,1-3H3;5-6H,7H2,1-4H3;4-5,8H,6-7H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;4-6H,7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3;5-6H,1-4H3.

What are the key properties of tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?

tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole has a molecular weight of 2940.03 g/mol, XLogP of 49.06, 1 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is sourced from PubChem (CID 159620322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).