5-tert-butyl-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2-methylidene-1,3-dihydroindene;5-tert-butylpiperidin-2-one;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2,2-dimethylbutane;1-[(2R)-3,3-dimethylbutan-2-yl]naphthalene;1-[(2S)-3,3-dimethylbutan-2-yl]naphthalene;1-(3,3-dimethylbutan-2-yl)naphthalene;methane;(1R)-1-methyl-2,3-dihydro-1H-indene;(1S)-1-methyl-2,3-dihydro-1H-indene;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane

C226H317N7O4 — CID 157154904

About 5-tert-butyl-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2-methylidene-1,3-dihydroindene;5-tert-butylpiperidin-2-one;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2,2-dimethylbutane;1-[(2R)-3,3-dimethylbutan-2-yl]naphthalene;1-[(2S)-3,3-dimethylbutan-2-yl]naphthalene;1-(3,3-dimethylbutan-2-yl)naphthalene;methane;(1R)-1-methyl-2,3-dihydro-1H-indene;(1S)-1-methyl-2,3-dihydro-1H-indene;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane

5-tert-butyl-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2-methylidene-1,3-dihydroindene;5-tert-butylpiperidin-2-one;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2,2-dimethylbutane;1-[(2R)-3,3-dimethylbutan-2-yl]naphthalene;1-[(2S)-3,3-dimethylbutan-2-yl]naphthalene;1-(3,3-dimethylbutan-2-yl)naphthalene;methane;(1R)-1-methyl-2,3-dihydro-1H-indene;(1S)-1-methyl-2,3-dihydro-1H-indene;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane (PubChem CID 157154904) has the molecular formula C226H317N7O4 and a molecular weight of 3196.07 g/mol. Its IUPAC name is 5-tert-butyl-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2-methylidene-1,3-dihydroindene;5-tert-butylpiperidin-2-one;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2,2-dimethylbutane;1-[(2R)-3,3-dimethylbutan-2-yl]naphthalene;1-[(2S)-3,3-dimethylbutan-2-yl]naphthalene;1-(3,3-dimethylbutan-2-yl)naphthalene;methane;(1R)-1-methyl-2,3-dihydro-1H-indene;(1S)-1-methyl-2,3-dihydro-1H-indene;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane.

Molecular Properties

• Compound Name: 5-tert-butyl-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2-methylidene-1,3-dihydroindene;5-tert-butylpiperidin-2-one;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2,2-dimethylbutane;1-[(2R)-3,3-dimethylbutan-2-yl]naphthalene;1-[(2S)-3,3-dimethylbutan-2-yl]naphthalene;1-(3,3-dimethylbutan-2-yl)naphthalene;methane;(1R)-1-methyl-2,3-dihydro-1H-indene;(1S)-1-methyl-2,3-dihydro-1H-indene;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane
• PubChem CID: 157154904
• Molecular Formula: C226H317N7O4
• Molecular Weight: 3196.07 g/mol
• Exact Mass: 3193.48
• IUPAC Name: 5-tert-butyl-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2-methylidene-1,3-dihydroindene;5-tert-butylpiperidin-2-one;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2,2-dimethylbutane;1-[(2R)-3,3-dimethylbutan-2-yl]naphthalene;1-[(2S)-3,3-dimethylbutan-2-yl]naphthalene;1-(3,3-dimethylbutan-2-yl)naphthalene;methane;(1R)-1-methyl-2,3-dihydro-1H-indene;(1S)-1-methyl-2,3-dihydro-1H-indene;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane
• SMILES: C.C.C=C1Cc2ccc(C(C)(C)C)cc2C1.CC(C)(C)C(C)(C)C.CC(C)(C)C1CCC(=O)NC1.CC(C)(C)C1CCCc2ccccc21.CC(C)(C)C1CCc2ccccc21.CC(C)(C)c1ccc2c(c1)NC(=O)C2.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cnc2ccccc2c1.CC(C)C(C)(C)C.CC(c1cccc2ccccc12)C(C)(C)C.CCC(C)(C)C.C[C@@H](c1cccc2ccccc12)C(C)(C)C.C[C@@H]1CCc2ccccc21.C[C@H](c1cccc2ccccc12)C(C)(C)C.C[C@H]1CCc2ccccc21.Cc1noc(C)c1C(C)(C)C
• InChI: InChI=1S/3C16H20.C14H18.C14H20.4C13H15N.C13H18.C12H15NO.C12H14O.2C10H12.C9H15NO.C9H17NO.C8H18.C7H16.C6H14.2CH4/c3*1-12(16(2,3)4)14-11-7-9-13-8-5-6-10-15(13)14;1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;2*1-8-6-7-9-4-2-3-5-10(8)9;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)7-4-5-8(11)10-6-7;1-7(2,3)8(4,5)6;1-6(2)7(3,4)5;1-5-6(2,3)4;;/h3*5-12H,1-4H3;5-6,9H,1,7-8H2,2-4H3;4-5,7,9,13H,6,8,10H2,1-3H3;4*4-9H,1-3H3;4-7,12H,8-9H2,1-3H3;4-5,7H,6H2,1-3H3,(H,13,14);4-8H,1-3H3;2*2-5,8H,6-7H2,1H3;1-5H3;7H,4-6H2,1-3H3,(H,10,11);1-6H3;6H,1-5H3;5H2,1-4H3;2*1H4/t2*12-;;;;;;;;;;;2*8-;;;;;;;/m10..........10......./s1
• InChIKey: ALRQTBBDMMKSDW-BKZUULMKSA-N
• XLogP: 65.96
• TPSA: 148.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3196.07
LogP ≤ 5	65.96
H-Bond Donors ≤ 5	2
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 5-tert-butyl-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2-methylidene-1,3-dihydroindene;5-tert-butylpiperidin-2-one;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2,2-dimethylbutane;1-[(2R)-3,3-dimethylbutan-2-yl]naphthalene;1-[(2S)-3,3-dimethylbutan-2-yl]naphthalene;1-(3,3-dimethylbutan-2-yl)naphthalene;methane;(1R)-1-methyl-2,3-dihydro-1H-indene;(1S)-1-methyl-2,3-dihydro-1H-indene;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane?

The IUPAC name of 5-tert-butyl-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2-methylidene-1,3-dihydroindene;5-tert-butylpiperidin-2-one;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2,2-dimethylbutane;1-[(2R)-3,3-dimethylbutan-2-yl]naphthalene;1-[(2S)-3,3-dimethylbutan-2-yl]naphthalene;1-(3,3-dimethylbutan-2-yl)naphthalene;methane;(1R)-1-methyl-2,3-dihydro-1H-indene;(1S)-1-methyl-2,3-dihydro-1H-indene;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane (CID 157154904) is 5-tert-butyl-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2-methylidene-1,3-dihydroindene;5-tert-butylpiperidin-2-one;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2,2-dimethylbutane;1-[(2R)-3,3-dimethylbutan-2-yl]naphthalene;1-[(2S)-3,3-dimethylbutan-2-yl]naphthalene;1-(3,3-dimethylbutan-2-yl)naphthalene;methane;(1R)-1-methyl-2,3-dihydro-1H-indene;(1S)-1-methyl-2,3-dihydro-1H-indene;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane.

What is the SMILES notation for 5-tert-butyl-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2-methylidene-1,3-dihydroindene;5-tert-butylpiperidin-2-one;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2,2-dimethylbutane;1-[(2R)-3,3-dimethylbutan-2-yl]naphthalene;1-[(2S)-3,3-dimethylbutan-2-yl]naphthalene;1-(3,3-dimethylbutan-2-yl)naphthalene;methane;(1R)-1-methyl-2,3-dihydro-1H-indene;(1S)-1-methyl-2,3-dihydro-1H-indene;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane?

The canonical SMILES for 5-tert-butyl-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2-methylidene-1,3-dihydroindene;5-tert-butylpiperidin-2-one;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2,2-dimethylbutane;1-[(2R)-3,3-dimethylbutan-2-yl]naphthalene;1-[(2S)-3,3-dimethylbutan-2-yl]naphthalene;1-(3,3-dimethylbutan-2-yl)naphthalene;methane;(1R)-1-methyl-2,3-dihydro-1H-indene;(1S)-1-methyl-2,3-dihydro-1H-indene;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane is C.C.C=C1Cc2ccc(C(C)(C)C)cc2C1.CC(C)(C)C(C)(C)C.CC(C)(C)C1CCC(=O)NC1.CC(C)(C)C1CCCc2ccccc21.CC(C)(C)C1CCc2ccccc21.CC(C)(C)c1ccc2c(c1)NC(=O)C2.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cnc2ccccc2c1.CC(C)C(C)(C)C.CC(c1cccc2ccccc12)C(C)(C)C.CCC(C)(C)C.C[C@@H](c1cccc2ccccc12)C(C)(C)C.C[C@@H]1CCc2ccccc21.C[C@H](c1cccc2ccccc12)C(C)(C)C.C[C@H]1CCc2ccccc21.Cc1noc(C)c1C(C)(C)C.

What is the InChIKey of 5-tert-butyl-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2-methylidene-1,3-dihydroindene;5-tert-butylpiperidin-2-one;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2,2-dimethylbutane;1-[(2R)-3,3-dimethylbutan-2-yl]naphthalene;1-[(2S)-3,3-dimethylbutan-2-yl]naphthalene;1-(3,3-dimethylbutan-2-yl)naphthalene;methane;(1R)-1-methyl-2,3-dihydro-1H-indene;(1S)-1-methyl-2,3-dihydro-1H-indene;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane?

The InChIKey is ALRQTBBDMMKSDW-BKZUULMKSA-N. The full InChI is InChI=1S/3C16H20.C14H18.C14H20.4C13H15N.C13H18.C12H15NO.C12H14O.2C10H12.C9H15NO.C9H17NO.C8H18.C7H16.C6H14.2CH4/c3*1-12(16(2,3)4)14-11-7-9-13-8-5-6-10-15(13)14;1-10-7-11-5-6-13(14(2,3)4)9-12(11)8-10;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;2*1-8-6-7-9-4-2-3-5-10(8)9;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)7-4-5-8(11)10-6-7;1-7(2,3)8(4,5)6;1-6(2)7(3,4)5;1-5-6(2,3)4;;/h3*5-12H,1-4H3;5-6,9H,1,7-8H2,2-4H3;4-5,7,9,13H,6,8,10H2,1-3H3;4*4-9H,1-3H3;4-7,12H,8-9H2,1-3H3;4-5,7H,6H2,1-3H3,(H,13,14);4-8H,1-3H3;2*2-5,8H,6-7H2,1H3;1-5H3;7H,4-6H2,1-3H3,(H,10,11);1-6H3;6H,1-5H3;5H2,1-4H3;2*1H4/t2*12-;;;;;;;;;;;2*8-;;;;;;;/m10..........10......./s1.

What are the key properties of 5-tert-butyl-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2-methylidene-1,3-dihydroindene;5-tert-butylpiperidin-2-one;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2,2-dimethylbutane;1-[(2R)-3,3-dimethylbutan-2-yl]naphthalene;1-[(2S)-3,3-dimethylbutan-2-yl]naphthalene;1-(3,3-dimethylbutan-2-yl)naphthalene;methane;(1R)-1-methyl-2,3-dihydro-1H-indene;(1S)-1-methyl-2,3-dihydro-1H-indene;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane?

5-tert-butyl-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2-methylidene-1,3-dihydroindene;5-tert-butylpiperidin-2-one;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2,2-dimethylbutane;1-[(2R)-3,3-dimethylbutan-2-yl]naphthalene;1-[(2S)-3,3-dimethylbutan-2-yl]naphthalene;1-(3,3-dimethylbutan-2-yl)naphthalene;methane;(1R)-1-methyl-2,3-dihydro-1H-indene;(1S)-1-methyl-2,3-dihydro-1H-indene;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane has a molecular weight of 3196.07 g/mol, XLogP of 65.96, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;6-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2-methylidene-1,3-dihydroindene;5-tert-butylpiperidin-2-one;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;2,2-dimethylbutane;1-[(2R)-3,3-dimethylbutan-2-yl]naphthalene;1-[(2S)-3,3-dimethylbutan-2-yl]naphthalene;1-(3,3-dimethylbutan-2-yl)naphthalene;methane;(1R)-1-methyl-2,3-dihydro-1H-indene;(1S)-1-methyl-2,3-dihydro-1H-indene;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane is sourced from PubChem (CID 157154904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).