diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

C23H50O9Si2 — CID 173010804

About diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 173010804) has the molecular formula C23H50O9Si2 and a molecular weight of 526.82 g/mol. Its IUPAC name is diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

• Compound Name: diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
• PubChem CID: 173010804
• Molecular Formula: C23H50O9Si2
• Molecular Weight: 526.82 g/mol
• Exact Mass: 526.30
• IUPAC Name: diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
• SMILES: CCO[SiH](CC(CC)OCC1CO1)OCC.CCO[Si](CCCOCC1CO1)(OCC)OCC
• InChI: InChI=1S/C12H26O5Si.C11H24O4Si/c1-4-15-18(16-5-2,17-6-3)9-7-8-13-10-12-11-14-12;1-4-10(12-7-11-8-13-11)9-16(14-5-2)15-6-3/h12H,4-11H2,1-3H3;10-11,16H,4-9H2,1-3H3
• InChIKey: FLASQHRWPNMZME-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 89.67 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 22
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.82
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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 diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?

The IUPAC name of diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 173010804) is diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.

What is the SMILES notation for diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?

The canonical SMILES for diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is CCO[SiH](CC(CC)OCC1CO1)OCC.CCO[Si](CCCOCC1CO1)(OCC)OCC.

What is the InChIKey of diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?

The InChIKey is FLASQHRWPNMZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si.C11H24O4Si/c1-4-15-18(16-5-2,17-6-3)9-7-8-13-10-12-11-14-12;1-4-10(12-7-11-8-13-11)9-16(14-5-2)15-6-3/h12H,4-11H2,1-3H3;10-11,16H,4-9H2,1-3H3.

What are the key properties of diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?

diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 526.82 g/mol, XLogP of 3.31, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 173010804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).