tert-butyl 3-tert-butylindole-1-carboxylate;2-tert-butyl-1-ethylindole;2-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole-3-carbonitrile;4-tert-butyl-5-methyl-1-phenylpyrazole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2,4-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;4-(3-propan-2-ylphenyl)morpholine;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane

C164H230N22O6SSi — CID 160679126

About tert-butyl 3-tert-butylindole-1-carboxylate;2-tert-butyl-1-ethylindole;2-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole-3-carbonitrile;4-tert-butyl-5-methyl-1-phenylpyrazole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2,4-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;4-(3-propan-2-ylphenyl)morpholine;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane

tert-butyl 3-tert-butylindole-1-carboxylate;2-tert-butyl-1-ethylindole;2-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole-3-carbonitrile;4-tert-butyl-5-methyl-1-phenylpyrazole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2,4-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;4-(3-propan-2-ylphenyl)morpholine;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane (PubChem CID 160679126) has the molecular formula C164H230N22O6SSi and a molecular weight of 2665.94 g/mol. Its IUPAC name is tert-butyl 3-tert-butylindole-1-carboxylate;2-tert-butyl-1-ethylindole;2-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole-3-carbonitrile;4-tert-butyl-5-methyl-1-phenylpyrazole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2,4-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;4-(3-propan-2-ylphenyl)morpholine;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane.

Molecular Properties

• Compound Name: tert-butyl 3-tert-butylindole-1-carboxylate;2-tert-butyl-1-ethylindole;2-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole-3-carbonitrile;4-tert-butyl-5-methyl-1-phenylpyrazole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2,4-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;4-(3-propan-2-ylphenyl)morpholine;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane
• PubChem CID: 160679126
• Molecular Formula: C164H230N22O6SSi
• Molecular Weight: 2665.94 g/mol
• Exact Mass: 2663.79
• IUPAC Name: tert-butyl 3-tert-butylindole-1-carboxylate;2-tert-butyl-1-ethylindole;2-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole-3-carbonitrile;4-tert-butyl-5-methyl-1-phenylpyrazole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2,4-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;4-(3-propan-2-ylphenyl)morpholine;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane
• SMILES: CC(C)(C)OC(=O)n1cc(C(C)(C)C)c2ccccc21.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc2nn(C)cc12.CC(C)c1cnc2c(c1)ncn2COCC[Si](C)(C)C.CC(C)c1cnn(C(C)C)c1.CCn1c(C(C)(C)C)cc2ccccc21.CCn1cc(C(C)C)cn1.Cc1c(C(C)(C)C)cnn1-c1ccccc1.Cc1c(C(C)C)ccc2nn(C)cc12.Cn1nc(C#N)c2cc(C(C)(C)C)ccc21
• InChI: InChI=1S/C17H23NO2.C15H25N3OSi.C15H23NO2S.C14H18N2.C14H19N.C13H15N3.C13H19NO.C12H16N2.C12H15N.C11H14N2.C11H13N.C9H16N2.C8H14N2/c1-16(2,3)13-11-18(15(19)20-17(4,5)6)14-10-8-7-9-12(13)14;1-12(2)13-8-14-15(16-9-13)18(10-17-14)11-19-6-7-20(3,4)5;1-10(2)13-8-11-9-16(7-6-12(11)19-13)14(17)18-15(3,4)5;1-11-13(14(2,3)4)10-15-16(11)12-8-6-5-7-9-12;1-5-15-12-9-7-6-8-11(12)10-13(15)14(2,3)4;1-13(2,3)9-5-6-12-10(7-9)11(8-14)15-16(12)4;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-8(2)10-5-6-12-11(9(10)3)7-14(4)13-12;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-5-10-11(6-9)8(3)4;1-4-10-6-8(5-9-10)7(2)3/h7-11H,1-6H3;8-10,12H,6-7,11H2,1-5H3;8,10H,6-7,9H2,1-5H3;5-10H,1-4H3;6-10H,5H2,1-4H3;5-7H,1-4H3;3-5,10-11H,6-9H2,1-2H3;5-8H,1-4H3;4-8,13H,1-3H3;4-8H,1-3H3;3-8,12H,1-2H3;5-8H,1-4H3;5-7H,4H2,1-3H3
• InChIKey: RNXGXRYVZOXOQP-UHFFFAOYSA-N
• XLogP: 42.65
• TPSA: 280.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2665.94
LogP ≤ 5	42.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-tert-butylindole-1-carboxylate;2-tert-butyl-1-ethylindole;2-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole-3-carbonitrile;4-tert-butyl-5-methyl-1-phenylpyrazole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2,4-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;4-(3-propan-2-ylphenyl)morpholine;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane?

The IUPAC name of tert-butyl 3-tert-butylindole-1-carboxylate;2-tert-butyl-1-ethylindole;2-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole-3-carbonitrile;4-tert-butyl-5-methyl-1-phenylpyrazole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2,4-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;4-(3-propan-2-ylphenyl)morpholine;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane (CID 160679126) is tert-butyl 3-tert-butylindole-1-carboxylate;2-tert-butyl-1-ethylindole;2-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole-3-carbonitrile;4-tert-butyl-5-methyl-1-phenylpyrazole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2,4-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;4-(3-propan-2-ylphenyl)morpholine;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane.

What is the SMILES notation for tert-butyl 3-tert-butylindole-1-carboxylate;2-tert-butyl-1-ethylindole;2-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole-3-carbonitrile;4-tert-butyl-5-methyl-1-phenylpyrazole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2,4-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;4-(3-propan-2-ylphenyl)morpholine;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane?

The canonical SMILES for tert-butyl 3-tert-butylindole-1-carboxylate;2-tert-butyl-1-ethylindole;2-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole-3-carbonitrile;4-tert-butyl-5-methyl-1-phenylpyrazole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2,4-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;4-(3-propan-2-ylphenyl)morpholine;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane is CC(C)(C)OC(=O)n1cc(C(C)(C)C)c2ccccc21.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc2nn(C)cc12.CC(C)c1cnc2c(c1)ncn2COCC[Si](C)(C)C.CC(C)c1cnn(C(C)C)c1.CCn1c(C(C)(C)C)cc2ccccc21.CCn1cc(C(C)C)cn1.Cc1c(C(C)(C)C)cnn1-c1ccccc1.Cc1c(C(C)C)ccc2nn(C)cc12.Cn1nc(C#N)c2cc(C(C)(C)C)ccc21.

What is the InChIKey of tert-butyl 3-tert-butylindole-1-carboxylate;2-tert-butyl-1-ethylindole;2-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole-3-carbonitrile;4-tert-butyl-5-methyl-1-phenylpyrazole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2,4-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;4-(3-propan-2-ylphenyl)morpholine;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane?

The InChIKey is RNXGXRYVZOXOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2.C15H25N3OSi.C15H23NO2S.C14H18N2.C14H19N.C13H15N3.C13H19NO.C12H16N2.C12H15N.C11H14N2.C11H13N.C9H16N2.C8H14N2/c1-16(2,3)13-11-18(15(19)20-17(4,5)6)14-10-8-7-9-12(13)14;1-12(2)13-8-14-15(16-9-13)18(10-17-14)11-19-6-7-20(3,4)5;1-10(2)13-8-11-9-16(7-6-12(11)19-13)14(17)18-15(3,4)5;1-11-13(14(2,3)4)10-15-16(11)12-8-6-5-7-9-12;1-5-15-12-9-7-6-8-11(12)10-13(15)14(2,3)4;1-13(2,3)9-5-6-12-10(7-9)11(8-14)15-16(12)4;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-8(2)10-5-6-12-11(9(10)3)7-14(4)13-12;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)9-5-10-11(6-9)8(3)4;1-4-10-6-8(5-9-10)7(2)3/h7-11H,1-6H3;8-10,12H,6-7,11H2,1-5H3;8,10H,6-7,9H2,1-5H3;5-10H,1-4H3;6-10H,5H2,1-4H3;5-7H,1-4H3;3-5,10-11H,6-9H2,1-2H3;5-8H,1-4H3;4-8,13H,1-3H3;4-8H,1-3H3;3-8,12H,1-2H3;5-8H,1-4H3;5-7H,4H2,1-3H3.

What are the key properties of tert-butyl 3-tert-butylindole-1-carboxylate;2-tert-butyl-1-ethylindole;2-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole-3-carbonitrile;4-tert-butyl-5-methyl-1-phenylpyrazole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2,4-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;4-(3-propan-2-ylphenyl)morpholine;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane?

tert-butyl 3-tert-butylindole-1-carboxylate;2-tert-butyl-1-ethylindole;2-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole-3-carbonitrile;4-tert-butyl-5-methyl-1-phenylpyrazole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2,4-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;4-(3-propan-2-ylphenyl)morpholine;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane has a molecular weight of 2665.94 g/mol, XLogP of 42.65, 18 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-tert-butylindole-1-carboxylate;2-tert-butyl-1-ethylindole;2-tert-butyl-1H-indole;5-tert-butyl-1-methylindazole-3-carbonitrile;4-tert-butyl-5-methyl-1-phenylpyrazole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;2,4-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;4-(3-propan-2-ylphenyl)morpholine;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane is sourced from PubChem (CID 160679126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).