[dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane

C28H42O5Si2 — CID 22168337

About [dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane

[dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane (PubChem CID 22168337) has the molecular formula C28H42O5Si2 and a molecular weight of 514.81 g/mol. Its IUPAC name is [dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane.

Molecular Properties

• Compound Name: [dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
• PubChem CID: 22168337
• Molecular Formula: C28H42O5Si2
• Molecular Weight: 514.81 g/mol
• Exact Mass: 514.26
• IUPAC Name: [dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
• SMILES: C[Si](C)(CCCc1ccccc1OCC1CO1)O[Si](C)(C)CCCc1ccccc1OCC1CO1
• InChI: InChI=1S/C28H42O5Si2/c1-34(2,17-9-13-23-11-5-7-15-27(23)31-21-25-19-29-25)33-35(3,4)18-10-14-24-12-6-8-16-28(24)32-22-26-20-30-26/h5-8,11-12,15-16,25-26H,9-10,13-14,17-22H2,1-4H3
• InChIKey: AROQNNBKZOBJAJ-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 52.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.81
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane?

The IUPAC name of [dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane (CID 22168337) is [dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane.

What is the SMILES notation for [dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane?

The canonical SMILES for [dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane is C[Si](C)(CCCc1ccccc1OCC1CO1)O[Si](C)(C)CCCc1ccccc1OCC1CO1.

What is the InChIKey of [dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane?

The InChIKey is AROQNNBKZOBJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O5Si2/c1-34(2,17-9-13-23-11-5-7-15-27(23)31-21-25-19-29-25)33-35(3,4)18-10-14-24-12-6-8-16-28(24)32-22-26-20-30-26/h5-8,11-12,15-16,25-26H,9-10,13-14,17-22H2,1-4H3.

What are the key properties of [dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane?

[dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane has a molecular weight of 514.81 g/mol, XLogP of 6.23, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[3-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane is sourced from PubChem (CID 22168337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).