2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol

C32H38F2O2Si — CID 22676144

About 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol

2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol (PubChem CID 22676144) has the molecular formula C32H38F2O2Si and a molecular weight of 520.74 g/mol. Its IUPAC name is 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol.

Molecular Properties

• Compound Name: 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol
• PubChem CID: 22676144
• Molecular Formula: C32H38F2O2Si
• Molecular Weight: 520.74 g/mol
• Exact Mass: 520.26
• IUPAC Name: 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol
• SMILES: CC(C)(C)C1=C(c2cc(F)ccc2O)CC=C1[Si](C)(C)C1=CCC(c2cc(F)ccc2O)=C1C(C)(C)C
• InChI: InChI=1S/C32H38F2O2Si/c1-31(2,3)29-21(23-17-19(33)9-13-25(23)35)11-15-27(29)37(7,8)28-16-12-22(30(28)32(4,5)6)24-18-20(34)10-14-26(24)36/h9-10,13-18,35-36H,11-12H2,1-8H3
• InChIKey: ZJRXQTRIIBWERZ-UHFFFAOYSA-N
• XLogP: 9.12
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.74
LogP ≤ 5	9.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol?

The IUPAC name of 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol (CID 22676144) is 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol.

What is the SMILES notation for 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol?

The canonical SMILES for 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol is CC(C)(C)C1=C(c2cc(F)ccc2O)CC=C1[Si](C)(C)C1=CCC(c2cc(F)ccc2O)=C1C(C)(C)C.

What is the InChIKey of 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol?

The InChIKey is ZJRXQTRIIBWERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F2O2Si/c1-31(2,3)29-21(23-17-19(33)9-13-25(23)35)11-15-27(29)37(7,8)28-16-12-22(30(28)32(4,5)6)24-18-20(34)10-14-26(24)36/h9-10,13-18,35-36H,11-12H2,1-8H3.

What are the key properties of 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol?

2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol has a molecular weight of 520.74 g/mol, XLogP of 9.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol is sourced from PubChem (CID 22676144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).