2-[3-[3-[3-[2,4-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocan-4-yl]propoxy]propoxy]propyl]-2,4-dimethyl-4-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocane

C33H68O10Si4 — CID 157053084

About 2-[3-[3-[3-[2,4-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocan-4-yl]propoxy]propoxy]propyl]-2,4-dimethyl-4-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocane

2-[3-[3-[3-[2,4-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocan-4-yl]propoxy]propoxy]propyl]-2,4-dimethyl-4-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocane (PubChem CID 157053084) has the molecular formula C33H68O10Si4 and a molecular weight of 737.24 g/mol. Its IUPAC name is 2-[3-[3-[3-[2,4-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocan-4-yl]propoxy]propoxy]propyl]-2,4-dimethyl-4-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocane.

Molecular Properties

• Compound Name: 2-[3-[3-[3-[2,4-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocan-4-yl]propoxy]propoxy]propyl]-2,4-dimethyl-4-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocane
• PubChem CID: 157053084
• Molecular Formula: C33H68O10Si4
• Molecular Weight: 737.24 g/mol
• Exact Mass: 736.39
• IUPAC Name: 2-[3-[3-[3-[2,4-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocan-4-yl]propoxy]propoxy]propyl]-2,4-dimethyl-4-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocane
• SMILES: C[Si]1(CCCOCC2CO2)CCCCO[Si](C)(CCCOCCCOCCC[Si]2(C)CCCCO[Si](C)(CCCOCC3CO3)O2)O1
• InChI: InChI=1S/C33H68O10Si4/c1-44(22-7-5-21-41-47(4,42-44)27-13-19-37-29-33-31-39-33)24-10-16-34-14-9-15-35-17-12-26-46(3)40-20-6-8-23-45(2,43-46)25-11-18-36-28-32-30-38-32/h32-33H,5-31H2,1-4H3
• InChIKey: WFDTYXHHGBTMKL-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 98.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.24
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-[3-[3-[3-[2,4-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocan-4-yl]propoxy]propoxy]propyl]-2,4-dimethyl-4-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocane?

The IUPAC name of 2-[3-[3-[3-[2,4-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocan-4-yl]propoxy]propoxy]propyl]-2,4-dimethyl-4-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocane (CID 157053084) is 2-[3-[3-[3-[2,4-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocan-4-yl]propoxy]propoxy]propyl]-2,4-dimethyl-4-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocane.

What is the SMILES notation for 2-[3-[3-[3-[2,4-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocan-4-yl]propoxy]propoxy]propyl]-2,4-dimethyl-4-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocane?

The canonical SMILES for 2-[3-[3-[3-[2,4-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocan-4-yl]propoxy]propoxy]propyl]-2,4-dimethyl-4-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocane is C[Si]1(CCCOCC2CO2)CCCCO[Si](C)(CCCOCCCOCCC[Si]2(C)CCCCO[Si](C)(CCCOCC3CO3)O2)O1.

What is the InChIKey of 2-[3-[3-[3-[2,4-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocan-4-yl]propoxy]propoxy]propyl]-2,4-dimethyl-4-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocane?

The InChIKey is WFDTYXHHGBTMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68O10Si4/c1-44(22-7-5-21-41-47(4,42-44)27-13-19-37-29-33-31-39-33)24-10-16-34-14-9-15-35-17-12-26-46(3)40-20-6-8-23-45(2,43-46)25-11-18-36-28-32-30-38-32/h32-33H,5-31H2,1-4H3.

What are the key properties of 2-[3-[3-[3-[2,4-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocan-4-yl]propoxy]propoxy]propyl]-2,4-dimethyl-4-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocane?

2-[3-[3-[3-[2,4-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocan-4-yl]propoxy]propoxy]propyl]-2,4-dimethyl-4-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocane has a molecular weight of 737.24 g/mol, XLogP of 6.75, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3-[2,4-dimethyl-2-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocan-4-yl]propoxy]propoxy]propyl]-2,4-dimethyl-4-[3-(oxiran-2-ylmethoxy)propyl]-1,3,2,4-dioxadisilocane is sourced from PubChem (CID 157053084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).