2-bicyclo[2.2.1]hepta-2,5-dienyl-[2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-(3-trimethylsilylpropyl)silyl]oxy-chloro-(3-trimethylsilylpropyl)silane

C26H44Cl2OSi4 — CID 552310

About 2-bicyclo[2.2.1]hepta-2,5-dienyl-[2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-(3-trimethylsilylpropyl)silyl]oxy-chloro-(3-trimethylsilylpropyl)silane

2-bicyclo[2.2.1]hepta-2,5-dienyl-[2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-(3-trimethylsilylpropyl)silyl]oxy-chloro-(3-trimethylsilylpropyl)silane (PubChem CID 552310) has the molecular formula C26H44Cl2OSi4 and a molecular weight of 555.89 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hepta-2,5-dienyl-[2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-(3-trimethylsilylpropyl)silyl]oxy-chloro-(3-trimethylsilylpropyl)silane.

Molecular Properties

• Compound Name: 2-bicyclo[2.2.1]hepta-2,5-dienyl-[2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-(3-trimethylsilylpropyl)silyl]oxy-chloro-(3-trimethylsilylpropyl)silane
• PubChem CID: 552310
• Molecular Formula: C26H44Cl2OSi4
• Molecular Weight: 555.89 g/mol
• Exact Mass: 554.18
• IUPAC Name: 2-bicyclo[2.2.1]hepta-2,5-dienyl-[2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-(3-trimethylsilylpropyl)silyl]oxy-chloro-(3-trimethylsilylpropyl)silane
• SMILES: C[Si](C)(C)CCC[Si](Cl)(O[Si](Cl)(CCC[Si](C)(C)C)C1=CC2C=CC1C2)C1=CC2C=CC1C2
• InChI: InChI=1S/C26H44Cl2OSi4/c1-30(2,3)13-7-15-32(27,25-19-21-9-11-23(25)17-21)29-33(28,16-8-14-31(4,5)6)26-20-22-10-12-24(26)18-22/h9-12,19-24H,7-8,13-18H2,1-6H3
• InChIKey: ZJWKVBSLXUAWAT-UHFFFAOYSA-N
• XLogP: 9.16
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.89
LogP ≤ 5	9.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hepta-2,5-dienyl-[2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-(3-trimethylsilylpropyl)silyl]oxy-chloro-(3-trimethylsilylpropyl)silane?

The IUPAC name of 2-bicyclo[2.2.1]hepta-2,5-dienyl-[2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-(3-trimethylsilylpropyl)silyl]oxy-chloro-(3-trimethylsilylpropyl)silane (CID 552310) is 2-bicyclo[2.2.1]hepta-2,5-dienyl-[2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-(3-trimethylsilylpropyl)silyl]oxy-chloro-(3-trimethylsilylpropyl)silane.

What is the SMILES notation for 2-bicyclo[2.2.1]hepta-2,5-dienyl-[2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-(3-trimethylsilylpropyl)silyl]oxy-chloro-(3-trimethylsilylpropyl)silane?

The canonical SMILES for 2-bicyclo[2.2.1]hepta-2,5-dienyl-[2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-(3-trimethylsilylpropyl)silyl]oxy-chloro-(3-trimethylsilylpropyl)silane is C[Si](C)(C)CCC[Si](Cl)(O[Si](Cl)(CCC[Si](C)(C)C)C1=CC2C=CC1C2)C1=CC2C=CC1C2.

What is the InChIKey of 2-bicyclo[2.2.1]hepta-2,5-dienyl-[2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-(3-trimethylsilylpropyl)silyl]oxy-chloro-(3-trimethylsilylpropyl)silane?

The InChIKey is ZJWKVBSLXUAWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44Cl2OSi4/c1-30(2,3)13-7-15-32(27,25-19-21-9-11-23(25)17-21)29-33(28,16-8-14-31(4,5)6)26-20-22-10-12-24(26)18-22/h9-12,19-24H,7-8,13-18H2,1-6H3.

What are the key properties of 2-bicyclo[2.2.1]hepta-2,5-dienyl-[2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-(3-trimethylsilylpropyl)silyl]oxy-chloro-(3-trimethylsilylpropyl)silane?

2-bicyclo[2.2.1]hepta-2,5-dienyl-[2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-(3-trimethylsilylpropyl)silyl]oxy-chloro-(3-trimethylsilylpropyl)silane has a molecular weight of 555.89 g/mol, XLogP of 9.16, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bicyclo[2.2.1]hepta-2,5-dienyl-[2-bicyclo[2.2.1]hepta-2,5-dienyl-chloro-(3-trimethylsilylpropyl)silyl]oxy-chloro-(3-trimethylsilylpropyl)silane is sourced from PubChem (CID 552310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).