About 5-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;8-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-2,3-dihydro-1H-indole;3-N-tert-butyl-4-N,1-dimethylpyrazole-3,4-dicarboxamide;3-tert-butyl-2H-indazole;5-tert-butyl-1H-indene;4-tert-butylisoquinoline;2-tert-butylpyridine;7-tert-butyl-5H-pyrrolo[3,4-b]pyridine;8-tert-butylquinoline;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline
5-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;8-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-2,3-dihydro-1H-indole;3-N-tert-butyl-4-N,1-dimethylpyrazole-3,4-dicarboxamide;3-tert-butyl-2H-indazole;5-tert-butyl-1H-indene;4-tert-butylisoquinoline;2-tert-butylpyridine;7-tert-butyl-5H-pyrrolo[3,4-b]pyridine;8-tert-butylquinoline;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline (PubChem CID 159884685) has the molecular formula C227H310N22O6
and a molecular weight of 3443.12 g/mol. Its IUPAC name is 5-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;8-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-2,3-dihydro-1H-indole;3-N-tert-butyl-4-N,1-dimethylpyrazole-3,4-dicarboxamide;3-tert-butyl-2H-indazole;5-tert-butyl-1H-indene;4-tert-butylisoquinoline;2-tert-butylpyridine;7-tert-butyl-5H-pyrrolo[3,4-b]pyridine;8-tert-butylquinoline;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline.
Frequently Asked Questions
What is the IUPAC name of 5-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;8-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-2,3-dihydro-1H-indole;3-N-tert-butyl-4-N,1-dimethylpyrazole-3,4-dicarboxamide;3-tert-butyl-2H-indazole;5-tert-butyl-1H-indene;4-tert-butylisoquinoline;2-tert-butylpyridine;7-tert-butyl-5H-pyrrolo[3,4-b]pyridine;8-tert-butylquinoline;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;8-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-2,3-dihydro-1H-indole;3-N-tert-butyl-4-N,1-dimethylpyrazole-3,4-dicarboxamide;3-tert-butyl-2H-indazole;5-tert-butyl-1H-indene;4-tert-butylisoquinoline;2-tert-butylpyridine;7-tert-butyl-5H-pyrrolo[3,4-b]pyridine;8-tert-butylquinoline;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline (CID 159884685) is 5-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;8-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-2,3-dihydro-1H-indole;3-N-tert-butyl-4-N,1-dimethylpyrazole-3,4-dicarboxamide;3-tert-butyl-2H-indazole;5-tert-butyl-1H-indene;4-tert-butylisoquinoline;2-tert-butylpyridine;7-tert-butyl-5H-pyrrolo[3,4-b]pyridine;8-tert-butylquinoline;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;8-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-2,3-dihydro-1H-indole;3-N-tert-butyl-4-N,1-dimethylpyrazole-3,4-dicarboxamide;3-tert-butyl-2H-indazole;5-tert-butyl-1H-indene;4-tert-butylisoquinoline;2-tert-butylpyridine;7-tert-butyl-5H-pyrrolo[3,4-b]pyridine;8-tert-butylquinoline;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;8-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-2,3-dihydro-1H-indole;3-N-tert-butyl-4-N,1-dimethylpyrazole-3,4-dicarboxamide;3-tert-butyl-2H-indazole;5-tert-butyl-1H-indene;4-tert-butylisoquinoline;2-tert-butylpyridine;7-tert-butyl-5H-pyrrolo[3,4-b]pyridine;8-tert-butylquinoline;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline is CC(C)(C)C1=NCC2=C1CCCC2.CC(C)(C)C1=NCc2cccnc21.CC(C)(C)N1CCc2ccccc21.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)CCCN2.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2c(c1)NCO2.CC(C)(C)c1ccc2c(n1)CCC2.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1cccc2c1CNCC2.CC(C)(C)c1cccc2c1NCCC2.CC(C)(C)c1cccc2c1OCCC2.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1ccccn1.CC(C)(C)c1cnc2c(c1)CNCC2.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1nc2ccccc2o1.CNC(=O)c1cn(C)nc1C(=O)NC(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;8-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-2,3-dihydro-1H-indole;3-N-tert-butyl-4-N,1-dimethylpyrazole-3,4-dicarboxamide;3-tert-butyl-2H-indazole;5-tert-butyl-1H-indene;4-tert-butylisoquinoline;2-tert-butylpyridine;7-tert-butyl-5H-pyrrolo[3,4-b]pyridine;8-tert-butylquinoline;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is NTZBSIWYHGWBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C13H15N.2C13H19N.C13H15N.C13H18O.C13H16.C12H18N2.3C12H17N.C12H19N.C12H14O.C11H18N4O2.2C11H14N2.C11H15NO.C11H13NO.C9H13N/c2*1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)10-6-9-7-13-5-4-11(9)14-8-10;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-8-7-9-5-4-6-10(9)13-11;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)13-10(17)8-7(9(16)12-4)6-15(5)14-8;1-11(2,3)10-9-8(7-13-10)5-4-6-12-9;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-9(2,3)8-6-4-5-7-10-8/h4,6,8,14H,5,7,9H2,1-3H3;4-9H,1-3H3;6-7,9,14H,4-5,8H2,1-3H3;4-6,14H,7-9H2,1-3H3;4-9H,1-3H3;4,6,8H,5,7,9H2,1-3H3;4,6-9H,5H2,1-3H3;6,8,13H,4-5,7H2,1-3H3;4-5,8,13H,6-7H2,1-3H3;7-8H,4-6H2,1-3H3;4-7H,8-9H2,1-3H3;4-8H2,1-3H3;4-8H,1-3H3;6H,1-5H3,(H,12,16)(H,13,17);4-6H,7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-6,12H,7H2,1-3H3;4-7H,1-3H3;4-7H,1-3H3.
What are the key properties of 5-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;8-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-2,3-dihydro-1H-indole;3-N-tert-butyl-4-N,1-dimethylpyrazole-3,4-dicarboxamide;3-tert-butyl-2H-indazole;5-tert-butyl-1H-indene;4-tert-butylisoquinoline;2-tert-butylpyridine;7-tert-butyl-5H-pyrrolo[3,4-b]pyridine;8-tert-butylquinoline;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline?
5-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;8-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-2,3-dihydro-1H-indole;3-N-tert-butyl-4-N,1-dimethylpyrazole-3,4-dicarboxamide;3-tert-butyl-2H-indazole;5-tert-butyl-1H-indene;4-tert-butylisoquinoline;2-tert-butylpyridine;7-tert-butyl-5H-pyrrolo[3,4-b]pyridine;8-tert-butylquinoline;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 3443.12 g/mol, XLogP of 54.87, 2 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1,3-benzoxazole;8-tert-butyl-3,4-dihydro-2H-chromene;2-tert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-2,3-dihydro-1H-indole;3-N-tert-butyl-4-N,1-dimethylpyrazole-3,4-dicarboxamide;3-tert-butyl-2H-indazole;5-tert-butyl-1H-indene;4-tert-butylisoquinoline;2-tert-butylpyridine;7-tert-butyl-5H-pyrrolo[3,4-b]pyridine;8-tert-butylquinoline;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;3-tert-butyl-5,6,7,8-tetrahydro-1,6-naphthyridine;6-tert-butyl-1,2,3,4-tetrahydroquinoline;8-tert-butyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 159884685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).