1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene;3-tert-butylthiophene;1-propan-2-ylpyrazole

C132H206N10O8S2 — CID 161359977

About 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene;3-tert-butylthiophene;1-propan-2-ylpyrazole

1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene;3-tert-butylthiophene;1-propan-2-ylpyrazole (PubChem CID 161359977) has the molecular formula C132H206N10O8S2 and a molecular weight of 2125.30 g/mol. Its IUPAC name is 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene;3-tert-butylthiophene;1-propan-2-ylpyrazole.

Molecular Properties

• Compound Name: 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene;3-tert-butylthiophene;1-propan-2-ylpyrazole
• PubChem CID: 161359977
• Molecular Formula: C132H206N10O8S2
• Molecular Weight: 2125.30 g/mol
• Exact Mass: 2123.55
• IUPAC Name: 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene;3-tert-butylthiophene;1-propan-2-ylpyrazole
• SMILES: CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=NC=CC1.CC(C)(C)C1=NCC=C1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccno1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1cnco1.CC(C)(C)c1cocn1.CC(C)(C)c1ncco1.CC(C)n1cccn1
• InChI: InChI=1S/3C9H14.3C8H13N.3C8H12O.2C8H12S.5C7H11NO.C6H10N2/c3*1-9(2,3)8-6-4-5-7-8;3*1-8(2,3)7-5-4-6-9-7;2*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)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-6(2)8-5-3-4-7-8/h2*4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;4-5H,6H2,1-3H3;5*4-6H,1-3H3;5*4-5H,1-3H3;3-6H,1-2H3
• InChIKey: VPAWIISXBKXQST-UHFFFAOYSA-N
• XLogP: 40.73
• TPSA: 224.47 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 1
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2125.30
LogP ≤ 5	40.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene;3-tert-butylthiophene;1-propan-2-ylpyrazole?

The IUPAC name of 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene;3-tert-butylthiophene;1-propan-2-ylpyrazole (CID 161359977) is 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene;3-tert-butylthiophene;1-propan-2-ylpyrazole.

What is the SMILES notation for 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene;3-tert-butylthiophene;1-propan-2-ylpyrazole?

The canonical SMILES for 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene;3-tert-butylthiophene;1-propan-2-ylpyrazole is CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=NC=CC1.CC(C)(C)C1=NCC=C1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccno1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1cnco1.CC(C)(C)c1cocn1.CC(C)(C)c1ncco1.CC(C)n1cccn1.

What is the InChIKey of 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene;3-tert-butylthiophene;1-propan-2-ylpyrazole?

The InChIKey is VPAWIISXBKXQST-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H14.3C8H13N.3C8H12O.2C8H12S.5C7H11NO.C6H10N2/c3*1-9(2,3)8-6-4-5-7-8;3*1-8(2,3)7-5-4-6-9-7;2*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)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;1-6(2)8-5-3-4-7-8/h2*4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;4-5H,6H2,1-3H3;5*4-6H,1-3H3;5*4-5H,1-3H3;3-6H,1-2H3.

What are the key properties of 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene;3-tert-butylthiophene;1-propan-2-ylpyrazole?

1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene;3-tert-butylthiophene;1-propan-2-ylpyrazole has a molecular weight of 2125.30 g/mol, XLogP of 40.73, 1 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene;3-tert-butylthiophene;1-propan-2-ylpyrazole is sourced from PubChem (CID 161359977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).