[4-tert-butyl-2-[(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane

C25H44Si2 — CID 22117996

About [4-tert-butyl-2-[(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane

[4-tert-butyl-2-[(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane (PubChem CID 22117996) has the molecular formula C25H44Si2 and a molecular weight of 400.80 g/mol. Its IUPAC name is [4-tert-butyl-2-[(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-tert-butyl-2-[(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane
• PubChem CID: 22117996
• Molecular Formula: C25H44Si2
• Molecular Weight: 400.80 g/mol
• Exact Mass: 400.30
• IUPAC Name: [4-tert-butyl-2-[(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane
• SMILES: CC(C)(C)C1=CC([Si](C)(C)C)=C(CC2=C([Si](C)(C)C)C=C(C(C)(C)C)C2)C1
• InChI: InChI=1S/C25H44Si2/c1-24(2,3)20-14-18(22(16-20)26(7,8)9)13-19-15-21(25(4,5)6)17-23(19)27(10,11)12/h16-17H,13-15H2,1-12H3
• InChIKey: RPSTWHHWVDWMMT-UHFFFAOYSA-N
• XLogP: 8.48
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.80
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane?

The IUPAC name of [4-tert-butyl-2-[(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane (CID 22117996) is [4-tert-butyl-2-[(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane.

What is the SMILES notation for [4-tert-butyl-2-[(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane?

The canonical SMILES for [4-tert-butyl-2-[(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane is CC(C)(C)C1=CC([Si](C)(C)C)=C(CC2=C([Si](C)(C)C)C=C(C(C)(C)C)C2)C1.

What is the InChIKey of [4-tert-butyl-2-[(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane?

The InChIKey is RPSTWHHWVDWMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44Si2/c1-24(2,3)20-14-18(22(16-20)26(7,8)9)13-19-15-21(25(4,5)6)17-23(19)27(10,11)12/h16-17H,13-15H2,1-12H3.

What are the key properties of [4-tert-butyl-2-[(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane?

[4-tert-butyl-2-[(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane has a molecular weight of 400.80 g/mol, XLogP of 8.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [4-tert-butyl-2-[(4-tert-butyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,4-dien-1-yl]-trimethylsilane is sourced from PubChem (CID 22117996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).