bis[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilane

C32H54O2Si3 — CID 158466095

About bis[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilane

bis[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilane (PubChem CID 158466095) has the molecular formula C32H54O2Si3 and a molecular weight of 555.04 g/mol. Its IUPAC name is bis[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilane.

Molecular Properties

• Compound Name: bis[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilane
• PubChem CID: 158466095
• Molecular Formula: C32H54O2Si3
• Molecular Weight: 555.04 g/mol
• Exact Mass: 554.34
• IUPAC Name: bis[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilane
• SMILES: C[Si](C)(CCC1CC2C=CC1C2)O[Si](C)(C)O[Si](C)(CCC1CC2C=CC1C2)CCC1CC2C=CC1C2
• InChI: InChI=1S/C32H54O2Si3/c1-35(2,15-12-30-21-24-6-9-27(30)18-24)33-36(3,4)34-37(5,16-13-31-22-25-7-10-28(31)19-25)17-14-32-23-26-8-11-29(32)20-26/h6-11,24-32H,12-23H2,1-5H3
• InChIKey: HFTOVORJFGBWFB-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.04
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilane?

The IUPAC name of bis[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilane (CID 158466095) is bis[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilane.

What is the SMILES notation for bis[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilane?

The canonical SMILES for bis[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilane is C[Si](C)(CCC1CC2C=CC1C2)O[Si](C)(C)O[Si](C)(CCC1CC2C=CC1C2)CCC1CC2C=CC1C2.

What is the InChIKey of bis[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilane?

The InChIKey is HFTOVORJFGBWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54O2Si3/c1-35(2,15-12-30-21-24-6-9-27(30)18-24)33-36(3,4)34-37(5,16-13-31-22-25-7-10-28(31)19-25)17-14-32-23-26-8-11-29(32)20-26/h6-11,24-32H,12-23H2,1-5H3.

What are the key properties of bis[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilane?

bis[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilane has a molecular weight of 555.04 g/mol, XLogP of 9.31, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for bis[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]oxy-methylsilane is sourced from PubChem (CID 158466095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).