2-(2-bicyclo[2.2.1]heptanyl)ethyl-[bis[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy]-phenylsilyl]oxy-dimethylsilane

C39H64O3Si4 — CID 140777498

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

2-(2-bicyclo[2.2.1]heptanyl)ethyl-[bis[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy]-phenylsilyl]oxy-dimethylsilane (PubChem CID 140777498) has the molecular formula C39H64O3Si4 and a molecular weight of 693.28 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)ethyl-[bis[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy]-phenylsilyl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: 2-(2-bicyclo[2.2.1]heptanyl)ethyl-[bis[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy]-phenylsilyl]oxy-dimethylsilane
• PubChem CID: 140777498
• Molecular Formula: C39H64O3Si4
• Molecular Weight: 693.28 g/mol
• Exact Mass: 692.39
• IUPAC Name: 2-(2-bicyclo[2.2.1]heptanyl)ethyl-[bis[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy]-phenylsilyl]oxy-dimethylsilane
• SMILES: C[Si](C)(CCC1CC2C=CC1C2)O[Si](O[Si](C)(C)CCC1CC2C=CC1C2)(O[Si](C)(C)CCC1CC2CCC1C2)c1ccccc1
• InChI: InChI=1S/C39H64O3Si4/c1-43(2,21-18-36-27-30-12-15-33(36)24-30)40-46(39-10-8-7-9-11-39,41-44(3,4)22-19-37-28-31-13-16-34(37)25-31)42-45(5,6)23-20-38-29-32-14-17-35(38)26-32/h7-13,15-16,30-38H,14,17-29H2,1-6H3
• InChIKey: CVWUZUVEQKFFQQ-UHFFFAOYSA-N
• XLogP: 10.53
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.28
LogP ≤ 5	10.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 2-(2-bicyclo[2.2.1]heptanyl)ethyl-[bis[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy]-phenylsilyl]oxy-dimethylsilane?

The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)ethyl-[bis[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy]-phenylsilyl]oxy-dimethylsilane (CID 140777498) is 2-(2-bicyclo[2.2.1]heptanyl)ethyl-[bis[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy]-phenylsilyl]oxy-dimethylsilane.

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

The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)ethyl-[bis[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy]-phenylsilyl]oxy-dimethylsilane is C[Si](C)(CCC1CC2C=CC1C2)O[Si](O[Si](C)(C)CCC1CC2C=CC1C2)(O[Si](C)(C)CCC1CC2CCC1C2)c1ccccc1.

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

The InChIKey is CVWUZUVEQKFFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H64O3Si4/c1-43(2,21-18-36-27-30-12-15-33(36)24-30)40-46(39-10-8-7-9-11-39,41-44(3,4)22-19-37-28-31-13-16-34(37)25-31)42-45(5,6)23-20-38-29-32-14-17-35(38)26-32/h7-13,15-16,30-38H,14,17-29H2,1-6H3.

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

2-(2-bicyclo[2.2.1]heptanyl)ethyl-[bis[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy]-phenylsilyl]oxy-dimethylsilane has a molecular weight of 693.28 g/mol, XLogP of 10.53, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-bicyclo[2.2.1]heptanyl)ethyl-[bis[[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-dimethylsilyl]oxy]-phenylsilyl]oxy-dimethylsilane is sourced from PubChem (CID 140777498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).