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

C231H397N29O7S5 — CID 160568137

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

1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-2H-pyrrole);tris(5-tert-butyl-3H-pyrrole);2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;methane (PubChem CID 160568137) has the molecular formula C231H397N29O7S5 and a molecular weight of 3853.25 g/mol. Its IUPAC name is 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-2H-pyrrole);tris(5-tert-butyl-3H-pyrrole);2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;methane.

Molecular Properties

• Compound Name: 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-2H-pyrrole);tris(5-tert-butyl-3H-pyrrole);2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;methane
• PubChem CID: 160568137
• Molecular Formula: C231H397N29O7S5
• Molecular Weight: 3853.25 g/mol
• Exact Mass: 3850.02
• IUPAC Name: 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-2H-pyrrole);tris(5-tert-butyl-3H-pyrrole);2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;methane
• SMILES: C.C.C.C.C.C.C.C.C.C.C.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=CCC=N1.CC(C)(C)C1=CCN=N1.CC(C)(C)C1=CN=CC1.CC(C)(C)C1=NC=CC1.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1ncno1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1
• InChI: InChI=1S/4C9H14.7C8H13N.2C8H12O.2C8H12S.5C7H12N2.4C7H11NO.3C7H11NS.C6H11N3.C6H10N2O.11CH4/c4*1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-5-9-6-7;6*1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;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)6-4-8-5-9-6;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)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)9-5-4-7-8-9;1-6(2,3)5-7-4-8-9-5;;;;;;;;;;;/h3*4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;4*5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;2*4-5H,6H2,1-3H3;4*4-6H,1-3H3;5H,4H2,1-3H3;4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);4H,5H2,1-3H3;8*4-5H,1-3H3;4H,1-3H3;11*1H4
• InChIKey: RAEUQYZJEIJTIF-UHFFFAOYSA-N
• XLogP: 72.33
• TPSA: 445.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 40
• Heavy Atoms: 272
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3853.25
LogP ≤ 5	72.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

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

The IUPAC name of 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-2H-pyrrole);tris(5-tert-butyl-3H-pyrrole);2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;methane (CID 160568137) is 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-2H-pyrrole);tris(5-tert-butyl-3H-pyrrole);2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;methane.

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

The canonical SMILES for 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-2H-pyrrole);tris(5-tert-butyl-3H-pyrrole);2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;methane is C.C.C.C.C.C.C.C.C.C.C.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=CCC=N1.CC(C)(C)C1=CCN=N1.CC(C)(C)C1=CN=CC1.CC(C)(C)C1=NC=CC1.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.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-butylcyclopenta-1,3-diene);2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-2H-pyrrole);tris(5-tert-butyl-3H-pyrrole);2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;methane?

The InChIKey is RAEUQYZJEIJTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H14.7C8H13N.2C8H12O.2C8H12S.5C7H12N2.4C7H11NO.3C7H11NS.C6H11N3.C6H10N2O.11CH4/c4*1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-5-9-6-7;6*1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;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)6-4-8-5-9-6;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)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)9-5-4-7-8-9;1-6(2,3)5-7-4-8-9-5;;;;;;;;;;;/h3*4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;4*5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;2*4-5H,6H2,1-3H3;4*4-6H,1-3H3;5H,4H2,1-3H3;4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);4H,5H2,1-3H3;8*4-5H,1-3H3;4H,1-3H3;11*1H4.

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

1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-2H-pyrrole);tris(5-tert-butyl-3H-pyrrole);2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;methane has a molecular weight of 3853.25 g/mol, XLogP of 72.33, 0 rotatable bonds, 1 hydrogen bond donors, and 40 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);2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-2H-pyrrole);tris(5-tert-butyl-3H-pyrrole);2-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;methane is sourced from PubChem (CID 160568137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).