[dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane

C28H42O5Si2 — CID 88606806

About [dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane

[dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane (PubChem CID 88606806) has the molecular formula C28H42O5Si2 and a molecular weight of 514.81 g/mol. Its IUPAC name is [dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane.

Molecular Properties

• Compound Name: [dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
• PubChem CID: 88606806
• Molecular Formula: C28H42O5Si2
• Molecular Weight: 514.81 g/mol
• Exact Mass: 514.26
• IUPAC Name: [dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
• SMILES: CCC(c1ccccc1OCC1CO1)[Si](C)(C)O[Si](C)(C)C(CC)c1ccccc1OCC1CO1
• InChI: InChI=1S/C28H42O5Si2/c1-7-27(23-13-9-11-15-25(23)31-19-21-17-29-21)34(3,4)33-35(5,6)28(8-2)24-14-10-12-16-26(24)32-20-22-18-30-22/h9-16,21-22,27-28H,7-8,17-20H2,1-6H3
• InChIKey: OIERXBGEFCDWOU-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 52.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.81
LogP ≤ 5	6.43
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-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane?

The IUPAC name of [dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane (CID 88606806) is [dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane.

What is the SMILES notation for [dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane?

The canonical SMILES for [dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane is CCC(c1ccccc1OCC1CO1)[Si](C)(C)O[Si](C)(C)C(CC)c1ccccc1OCC1CO1.

What is the InChIKey of [dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane?

The InChIKey is OIERXBGEFCDWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O5Si2/c1-7-27(23-13-9-11-15-25(23)31-19-21-17-29-21)34(3,4)33-35(5,6)28(8-2)24-14-10-12-16-26(24)32-20-22-18-30-22/h9-16,21-22,27-28H,7-8,17-20H2,1-6H3.

What are the key properties of [dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane?

[dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane has a molecular weight of 514.81 g/mol, XLogP of 6.43, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane is sourced from PubChem (CID 88606806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).