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

C157H260N25O9+ — CID 159917080

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

1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-4H-imidazole;1-tert-butyl-2H-imidazol-1-ium;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole;methane (PubChem CID 159917080) has the molecular formula C157H260N25O9+ and a molecular weight of 2641.97 g/mol. Its IUPAC name is 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-4H-imidazole;1-tert-butyl-2H-imidazol-1-ium;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole;methane.

Molecular Properties

• Compound Name: 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-4H-imidazole;1-tert-butyl-2H-imidazol-1-ium;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole;methane
• PubChem CID: 159917080
• Molecular Formula: C157H260N25O9+
• Molecular Weight: 2641.97 g/mol
• Exact Mass: 2640.07
• IUPAC Name: 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-4H-imidazole;1-tert-butyl-2H-imidazol-1-ium;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole;methane
• SMILES: C.C.CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CCN=N1.CC(C)(C)C1=CN=CC1.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)[N+]1=CC=NC1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cocn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1
• InChI: InChI=1S/C9H14.3C8H13N.5C8H12O.2C7H12N2.C7H13N2.4C7H12N2.3C7H11NO.C6H11N3.C6H10N2O.2CH4/c1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)9-5-4-8-6-9;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-4-7-8-9;1-6(2,3)5-7-4-8-9-5;;/h4-6H,7H2,1-3H3;5-6H,4H2,1-3H3;4-6,9H,1-3H3;4-5H,6H2,1-3H3;5*4-6H,1-3H3;5H,4H2,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,6H2,1-3H3;4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);4H,5H2,1-3H3;4*4-5H,1-3H3;4H,1-3H3;2*1H4/q;;;;;;;;;;;+1
• InChIKey: ZWOOPJFFLDMMCY-UHFFFAOYSA-N
• XLogP: 43.51
• TPSA: 418.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2641.97
LogP ≤ 5	43.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-4H-imidazole;1-tert-butyl-2H-imidazol-1-ium;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole;methane (CID 159917080) is 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-4H-imidazole;1-tert-butyl-2H-imidazol-1-ium;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole;methane.

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

The canonical SMILES for 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-4H-imidazole;1-tert-butyl-2H-imidazol-1-ium;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole;methane is C.C.CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CCN=N1.CC(C)(C)C1=CN=CC1.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)[N+]1=CC=NC1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cocn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.

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

The InChIKey is ZWOOPJFFLDMMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.3C8H13N.5C8H12O.2C7H12N2.C7H13N2.4C7H12N2.3C7H11NO.C6H11N3.C6H10N2O.2CH4/c1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6;2*1-7(2,3)9-5-4-8-6-9;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-4-7-8-9;1-6(2,3)5-7-4-8-9-5;;/h4-6H,7H2,1-3H3;5-6H,4H2,1-3H3;4-6,9H,1-3H3;4-5H,6H2,1-3H3;5*4-6H,1-3H3;5H,4H2,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,6H2,1-3H3;4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);4H,5H2,1-3H3;4*4-5H,1-3H3;4H,1-3H3;2*1H4/q;;;;;;;;;;;+1;;;;;;;;;;;.

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

1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-4H-imidazole;1-tert-butyl-2H-imidazol-1-ium;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole;methane has a molecular weight of 2641.97 g/mol, XLogP of 43.51, 0 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-4H-imidazole;1-tert-butyl-2H-imidazol-1-ium;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-tert-butyl-1H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole;methane is sourced from PubChem (CID 159917080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).