bis(tert-butyl acetate);bis(1-tert-butyl-2,3-dihydroindole);bis(1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine);tris(1-tert-butylindole);tris(1-tert-butylpyrrolo[2,3-b]pyridine);tetrakis(N,2-dimethylpropan-2-amine);tetrakis(2-methoxy-2-methylpropane)

C167H277N19O8 — CID 167564916

About bis(tert-butyl acetate);bis(1-tert-butyl-2,3-dihydroindole);bis(1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine);tris(1-tert-butylindole);tris(1-tert-butylpyrrolo[2,3-b]pyridine);tetrakis(N,2-dimethylpropan-2-amine);tetrakis(2-methoxy-2-methylpropane)

bis(tert-butyl acetate);bis(1-tert-butyl-2,3-dihydroindole);bis(1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine);tris(1-tert-butylindole);tris(1-tert-butylpyrrolo[2,3-b]pyridine);tetrakis(N,2-dimethylpropan-2-amine);tetrakis(2-methoxy-2-methylpropane) (PubChem CID 167564916) has the molecular formula C167H277N19O8 and a molecular weight of 2679.18 g/mol. Its IUPAC name is bis(tert-butyl acetate);bis(1-tert-butyl-2,3-dihydroindole);bis(1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine);tris(1-tert-butylindole);tris(1-tert-butylpyrrolo[2,3-b]pyridine);tetrakis(N,2-dimethylpropan-2-amine);tetrakis(2-methoxy-2-methylpropane).

Molecular Properties

• Compound Name: bis(tert-butyl acetate);bis(1-tert-butyl-2,3-dihydroindole);bis(1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine);tris(1-tert-butylindole);tris(1-tert-butylpyrrolo[2,3-b]pyridine);tetrakis(N,2-dimethylpropan-2-amine);tetrakis(2-methoxy-2-methylpropane)
• PubChem CID: 167564916
• Molecular Formula: C167H277N19O8
• Molecular Weight: 2679.18 g/mol
• Exact Mass: 2677.19
• IUPAC Name: bis(tert-butyl acetate);bis(1-tert-butyl-2,3-dihydroindole);bis(1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine);tris(1-tert-butylindole);tris(1-tert-butylpyrrolo[2,3-b]pyridine);tetrakis(N,2-dimethylpropan-2-amine);tetrakis(2-methoxy-2-methylpropane)
• SMILES: CC(=O)OC(C)(C)C.CC(=O)OC(C)(C)C.CC(C)(C)N1CCc2ccccc21.CC(C)(C)N1CCc2ccccc21.CC(C)(C)N1CCc2cccnc21.CC(C)(C)N1CCc2cccnc21.CC(C)(C)n1ccc2ccccc21.CC(C)(C)n1ccc2ccccc21.CC(C)(C)n1ccc2ccccc21.CC(C)(C)n1ccc2cccnc21.CC(C)(C)n1ccc2cccnc21.CC(C)(C)n1ccc2cccnc21.CNC(C)(C)C.CNC(C)(C)C.CNC(C)(C)C.CNC(C)(C)C.COC(C)(C)C.COC(C)(C)C.COC(C)(C)C.COC(C)(C)C
• InChI: InChI=1S/2C12H17N.3C12H15N.2C11H16N2.3C11H14N2.2C6H12O2.4C5H13N.4C5H12O/c5*1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;5*1-11(2,3)13-8-6-9-5-4-7-12-10(9)13;2*1-5(7)8-6(2,3)4;8*1-5(2,3)6-4/h2*4-7H,8-9H2,1-3H3;3*4-9H,1-3H3;2*4-5,7H,6,8H2,1-3H3;3*4-8H,1-3H3;2*1-4H3;4*6H,1-4H3;4*1-4H3
• InChIKey: FDLWDHIGGIVUAJ-UHFFFAOYSA-N
• XLogP: 41.18
• TPSA: 244.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2679.18
LogP ≤ 5	41.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl acetate);bis(1-tert-butyl-2,3-dihydroindole);bis(1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine);tris(1-tert-butylindole);tris(1-tert-butylpyrrolo[2,3-b]pyridine);tetrakis(N,2-dimethylpropan-2-amine);tetrakis(2-methoxy-2-methylpropane)?

The IUPAC name of bis(tert-butyl acetate);bis(1-tert-butyl-2,3-dihydroindole);bis(1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine);tris(1-tert-butylindole);tris(1-tert-butylpyrrolo[2,3-b]pyridine);tetrakis(N,2-dimethylpropan-2-amine);tetrakis(2-methoxy-2-methylpropane) (CID 167564916) is bis(tert-butyl acetate);bis(1-tert-butyl-2,3-dihydroindole);bis(1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine);tris(1-tert-butylindole);tris(1-tert-butylpyrrolo[2,3-b]pyridine);tetrakis(N,2-dimethylpropan-2-amine);tetrakis(2-methoxy-2-methylpropane).

What is the SMILES notation for bis(tert-butyl acetate);bis(1-tert-butyl-2,3-dihydroindole);bis(1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine);tris(1-tert-butylindole);tris(1-tert-butylpyrrolo[2,3-b]pyridine);tetrakis(N,2-dimethylpropan-2-amine);tetrakis(2-methoxy-2-methylpropane)?

The canonical SMILES for bis(tert-butyl acetate);bis(1-tert-butyl-2,3-dihydroindole);bis(1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine);tris(1-tert-butylindole);tris(1-tert-butylpyrrolo[2,3-b]pyridine);tetrakis(N,2-dimethylpropan-2-amine);tetrakis(2-methoxy-2-methylpropane) is CC(=O)OC(C)(C)C.CC(=O)OC(C)(C)C.CC(C)(C)N1CCc2ccccc21.CC(C)(C)N1CCc2ccccc21.CC(C)(C)N1CCc2cccnc21.CC(C)(C)N1CCc2cccnc21.CC(C)(C)n1ccc2ccccc21.CC(C)(C)n1ccc2ccccc21.CC(C)(C)n1ccc2ccccc21.CC(C)(C)n1ccc2cccnc21.CC(C)(C)n1ccc2cccnc21.CC(C)(C)n1ccc2cccnc21.CNC(C)(C)C.CNC(C)(C)C.CNC(C)(C)C.CNC(C)(C)C.COC(C)(C)C.COC(C)(C)C.COC(C)(C)C.COC(C)(C)C.

What is the InChIKey of bis(tert-butyl acetate);bis(1-tert-butyl-2,3-dihydroindole);bis(1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine);tris(1-tert-butylindole);tris(1-tert-butylpyrrolo[2,3-b]pyridine);tetrakis(N,2-dimethylpropan-2-amine);tetrakis(2-methoxy-2-methylpropane)?

The InChIKey is FDLWDHIGGIVUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17N.3C12H15N.2C11H16N2.3C11H14N2.2C6H12O2.4C5H13N.4C5H12O/c5*1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;5*1-11(2,3)13-8-6-9-5-4-7-12-10(9)13;2*1-5(7)8-6(2,3)4;8*1-5(2,3)6-4/h2*4-7H,8-9H2,1-3H3;3*4-9H,1-3H3;2*4-5,7H,6,8H2,1-3H3;3*4-8H,1-3H3;2*1-4H3;4*6H,1-4H3;4*1-4H3.

What are the key properties of bis(tert-butyl acetate);bis(1-tert-butyl-2,3-dihydroindole);bis(1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine);tris(1-tert-butylindole);tris(1-tert-butylpyrrolo[2,3-b]pyridine);tetrakis(N,2-dimethylpropan-2-amine);tetrakis(2-methoxy-2-methylpropane)?

bis(tert-butyl acetate);bis(1-tert-butyl-2,3-dihydroindole);bis(1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine);tris(1-tert-butylindole);tris(1-tert-butylpyrrolo[2,3-b]pyridine);tetrakis(N,2-dimethylpropan-2-amine);tetrakis(2-methoxy-2-methylpropane) has a molecular weight of 2679.18 g/mol, XLogP of 41.18, 0 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(tert-butyl acetate);bis(1-tert-butyl-2,3-dihydroindole);bis(1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine);tris(1-tert-butylindole);tris(1-tert-butylpyrrolo[2,3-b]pyridine);tetrakis(N,2-dimethylpropan-2-amine);tetrakis(2-methoxy-2-methylpropane) is sourced from PubChem (CID 167564916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).