2-bicyclo[2.2.1]heptanyl-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilane

C17H34O3Si2 — CID 174145806

About 2-bicyclo[2.2.1]heptanyl-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilane

2-bicyclo[2.2.1]heptanyl-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilane (PubChem CID 174145806) has the molecular formula C17H34O3Si2 and a molecular weight of 342.63 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: 2-bicyclo[2.2.1]heptanyl-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilane
• PubChem CID: 174145806
• Molecular Formula: C17H34O3Si2
• Molecular Weight: 342.63 g/mol
• Exact Mass: 342.20
• IUPAC Name: 2-bicyclo[2.2.1]heptanyl-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilane
• SMILES: C[Si](C)(CCCOCC1CO1)O[Si](C)(C)C1CC2CCC1C2
• InChI: InChI=1S/C17H34O3Si2/c1-21(2,9-5-8-18-12-16-13-19-16)20-22(3,4)17-11-14-6-7-15(17)10-14/h14-17H,5-13H2,1-4H3
• InChIKey: MTSKNJURBQZXSW-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 30.99 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.63
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilane?

The IUPAC name of 2-bicyclo[2.2.1]heptanyl-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilane (CID 174145806) is 2-bicyclo[2.2.1]heptanyl-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilane.

What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilane?

The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilane is C[Si](C)(CCCOCC1CO1)O[Si](C)(C)C1CC2CCC1C2.

What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilane?

The InChIKey is MTSKNJURBQZXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si2/c1-21(2,9-5-8-18-12-16-13-19-16)20-22(3,4)17-11-14-6-7-15(17)10-14/h14-17H,5-13H2,1-4H3.

What are the key properties of 2-bicyclo[2.2.1]heptanyl-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilane?

2-bicyclo[2.2.1]heptanyl-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilane has a molecular weight of 342.63 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bicyclo[2.2.1]heptanyl-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxy-dimethylsilane is sourced from PubChem (CID 174145806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).