5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane)

C74H144N8O2S2 — CID 160519351

About 5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane)

5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane) (PubChem CID 160519351) has the molecular formula C74H144N8O2S2 and a molecular weight of 1242.15 g/mol. Its IUPAC name is 5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane).

Molecular Properties

• Compound Name: 5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane)
• PubChem CID: 160519351
• Molecular Formula: C74H144N8O2S2
• Molecular Weight: 1242.15 g/mol
• Exact Mass: 1241.09
• IUPAC Name: 5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane)
• SMILES: CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnsc1.Cn1cc(C(C)(C)C)cn1.Cn1cncc1C(C)(C)C
• InChI: InChI=1S/2C8H14N2.2C7H11NO.2C7H11NS.6C5H12/c1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-5-9-10(4)6-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;6*1-5(2,3)4/h2*5-6H,1-4H3;4*4-5H,1-3H3;6*1-4H3
• InChIKey: QUBMJCIPPMIVAH-UHFFFAOYSA-N
• XLogP: 24.58
• TPSA: 113.48 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1242.15
LogP ≤ 5	24.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane)?

The IUPAC name of 5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane) (CID 160519351) is 5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane).

What is the SMILES notation for 5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane)?

The canonical SMILES for 5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane) is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnsc1.Cn1cc(C(C)(C)C)cn1.Cn1cncc1C(C)(C)C.

What is the InChIKey of 5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane)?

The InChIKey is QUBMJCIPPMIVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14N2.2C7H11NO.2C7H11NS.6C5H12/c1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-5-9-10(4)6-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;6*1-5(2,3)4/h2*5-6H,1-4H3;4*4-5H,1-3H3;6*1-4H3.

What are the key properties of 5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane)?

5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane) has a molecular weight of 1242.15 g/mol, XLogP of 24.58, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane) is sourced from PubChem (CID 160519351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).