1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;tris(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);2-tert-butylthiophene;1-tert-butyl-1,2,4-triazole

C175H281N23O8S — CID 161472010

About 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;tris(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);2-tert-butylthiophene;1-tert-butyl-1,2,4-triazole

1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;tris(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);2-tert-butylthiophene;1-tert-butyl-1,2,4-triazole (PubChem CID 161472010) has the molecular formula C175H281N23O8S and a molecular weight of 2867.39 g/mol. Its IUPAC name is 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;tris(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);2-tert-butylthiophene;1-tert-butyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;tris(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);2-tert-butylthiophene;1-tert-butyl-1,2,4-triazole
• PubChem CID: 161472010
• Molecular Formula: C175H281N23O8S
• Molecular Weight: 2867.39 g/mol
• Exact Mass: 2865.20
• IUPAC Name: 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;tris(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);2-tert-butylthiophene;1-tert-butyl-1,2,4-triazole
• SMILES: CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CCN=N1.CC(C)(C)C1=CN=CC1.CC(C)(C)C1=NC=CC1.CC(C)(C)C1=NN=CC1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccon1.CC(C)(C)c1cnco1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncon1.CC(C)(C)n1ccnc1.CC(C)(C)n1cncn1
• InChI: InChI=1S/4C9H14.5C8H13N.2C8H12O.C8H12S.4C7H12N2.5C7H11NO.C6H11N3.C6H10N2O/c4*1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;6*1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6;3*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-6(2,3)9-5-7-4-8-9;1-6(2,3)5-7-4-9-8-5/h3*4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;2*5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;4*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);5H,4H2,1-3H3;4H,5H2,1-3H3;6*4-5H,1-3H3;4H,1-3H3
• InChIKey: WDFFWYLLMGBISL-UHFFFAOYSA-N
• XLogP: 51.33
• TPSA: 383.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2867.39
LogP ≤ 5	51.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;tris(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);2-tert-butylthiophene;1-tert-butyl-1,2,4-triazole?

The IUPAC name of 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;tris(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);2-tert-butylthiophene;1-tert-butyl-1,2,4-triazole (CID 161472010) is 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;tris(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);2-tert-butylthiophene;1-tert-butyl-1,2,4-triazole.

What is the SMILES notation for 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;tris(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);2-tert-butylthiophene;1-tert-butyl-1,2,4-triazole?

The canonical SMILES for 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;tris(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);2-tert-butylthiophene;1-tert-butyl-1,2,4-triazole is CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CCN=N1.CC(C)(C)C1=CN=CC1.CC(C)(C)C1=NC=CC1.CC(C)(C)C1=NN=CC1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccon1.CC(C)(C)c1cnco1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncon1.CC(C)(C)n1ccnc1.CC(C)(C)n1cncn1.

What is the InChIKey of 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;tris(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);2-tert-butylthiophene;1-tert-butyl-1,2,4-triazole?

The InChIKey is WDFFWYLLMGBISL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H14.5C8H13N.2C8H12O.C8H12S.4C7H12N2.5C7H11NO.C6H11N3.C6H10N2O/c4*1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;6*1-8(2,3)7-5-4-6-9-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6;3*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-6(2,3)9-5-7-4-8-9;1-6(2,3)5-7-4-9-8-5/h3*4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;2*5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;4*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);5H,4H2,1-3H3;4H,5H2,1-3H3;6*4-5H,1-3H3;4H,1-3H3.

What are the key properties of 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;tris(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);2-tert-butylthiophene;1-tert-butyl-1,2,4-triazole?

1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;tris(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);2-tert-butylthiophene;1-tert-butyl-1,2,4-triazole has a molecular weight of 2867.39 g/mol, XLogP of 51.33, 0 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;tris(2-tert-butyl-1,3-oxazole);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);2-tert-butylthiophene;1-tert-butyl-1,2,4-triazole is sourced from PubChem (CID 161472010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).