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

C147H256N24O7 — CID 158684547

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

1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-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;5-tert-butyl-3H-pyrazole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyltriazole;methane (PubChem CID 158684547) has the molecular formula C147H256N24O7 and a molecular weight of 2471.83 g/mol. Its IUPAC name is 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-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;5-tert-butyl-3H-pyrazole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyltriazole;methane.

Molecular Properties

• Compound Name: 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-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;5-tert-butyl-3H-pyrazole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyltriazole;methane
• PubChem CID: 158684547
• Molecular Formula: C147H256N24O7
• Molecular Weight: 2471.83 g/mol
• Exact Mass: 2470.04
• IUPAC Name: 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-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;5-tert-butyl-3H-pyrazole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyltriazole;methane
• SMILES: C.C.C.C.C.C.C.CC(C)(C)C1=CC=CC1.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=NC1.CC(C)(C)C1=NC=NC1.CC(C)(C)c1ccco1.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)n1ccnn1
• InChI: InChI=1S/2C9H14.4C8H13N.C8H12O.5C7H12N2.5C7H11NO.C6H11N3.C6H10N2O.7CH4/c2*1-9(2,3)8-6-4-5-7-8;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;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6;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)9-5-4-7-8-9;1-6(2,3)5-7-4-9-8-5;;;;;;;/h4,6-7H,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,1-3H3;2*5H,4H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4H,5H2,1-3H3;6*4-5H,1-3H3;4H,1-3H3;7*1H4
• InChIKey: IFOHTVTXFXDLJD-UHFFFAOYSA-N
• XLogP: 43.10
• TPSA: 383.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2471.83
LogP ≤ 5	43.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-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;5-tert-butyl-3H-pyrazole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyltriazole;methane (CID 158684547) is 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-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;5-tert-butyl-3H-pyrazole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyltriazole;methane.

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

The canonical SMILES for 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-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;5-tert-butyl-3H-pyrazole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyltriazole;methane is C.C.C.C.C.C.C.CC(C)(C)C1=CC=CC1.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=NC1.CC(C)(C)C1=NC=NC1.CC(C)(C)c1ccco1.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)n1ccnn1.

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

The InChIKey is IFOHTVTXFXDLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14.4C8H13N.C8H12O.5C7H12N2.5C7H11NO.C6H11N3.C6H10N2O.7CH4/c2*1-9(2,3)8-6-4-5-7-8;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;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6;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)9-5-4-7-8-9;1-6(2,3)5-7-4-9-8-5;;;;;;;/h4,6-7H,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,1-3H3;2*5H,4H2,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4H,5H2,1-3H3;6*4-5H,1-3H3;4H,1-3H3;7*1H4.

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

1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-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;5-tert-butyl-3H-pyrazole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyltriazole;methane has a molecular weight of 2471.83 g/mol, XLogP of 43.10, 0 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-4H-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;5-tert-butyl-3H-pyrazole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyltriazole;methane is sourced from PubChem (CID 158684547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).