3-[3-[3-[2-(2-methoxyethoxy)ethoxy]propyl-dimethylsilyl]propyl-dimethylsilyl]propyl 2-methylprop-2-enoate

C22H46O5Si2 — CID 139645621

About 3-[3-[3-[2-(2-methoxyethoxy)ethoxy]propyl-dimethylsilyl]propyl-dimethylsilyl]propyl 2-methylprop-2-enoate

3-[3-[3-[2-(2-methoxyethoxy)ethoxy]propyl-dimethylsilyl]propyl-dimethylsilyl]propyl 2-methylprop-2-enoate (PubChem CID 139645621) has the molecular formula C22H46O5Si2 and a molecular weight of 446.78 g/mol. Its IUPAC name is 3-[3-[3-[2-(2-methoxyethoxy)ethoxy]propyl-dimethylsilyl]propyl-dimethylsilyl]propyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 3-[3-[3-[2-(2-methoxyethoxy)ethoxy]propyl-dimethylsilyl]propyl-dimethylsilyl]propyl 2-methylprop-2-enoate
• PubChem CID: 139645621
• Molecular Formula: C22H46O5Si2
• Molecular Weight: 446.78 g/mol
• Exact Mass: 446.29
• IUPAC Name: 3-[3-[3-[2-(2-methoxyethoxy)ethoxy]propyl-dimethylsilyl]propyl-dimethylsilyl]propyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCC[Si](C)(C)CCC[Si](C)(C)CCCOCCOCCOC
• InChI: InChI=1S/C22H46O5Si2/c1-21(2)22(23)27-12-9-18-29(6,7)20-10-19-28(4,5)17-8-11-25-15-16-26-14-13-24-3/h1,8-20H2,2-7H3
• InChIKey: FGIDANFBTZTKHI-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 19
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.78
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[2-(2-methoxyethoxy)ethoxy]propyl-dimethylsilyl]propyl-dimethylsilyl]propyl 2-methylprop-2-enoate?

The IUPAC name of 3-[3-[3-[2-(2-methoxyethoxy)ethoxy]propyl-dimethylsilyl]propyl-dimethylsilyl]propyl 2-methylprop-2-enoate (CID 139645621) is 3-[3-[3-[2-(2-methoxyethoxy)ethoxy]propyl-dimethylsilyl]propyl-dimethylsilyl]propyl 2-methylprop-2-enoate.

What is the SMILES notation for 3-[3-[3-[2-(2-methoxyethoxy)ethoxy]propyl-dimethylsilyl]propyl-dimethylsilyl]propyl 2-methylprop-2-enoate?

The canonical SMILES for 3-[3-[3-[2-(2-methoxyethoxy)ethoxy]propyl-dimethylsilyl]propyl-dimethylsilyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](C)(C)CCC[Si](C)(C)CCCOCCOCCOC.

What is the InChIKey of 3-[3-[3-[2-(2-methoxyethoxy)ethoxy]propyl-dimethylsilyl]propyl-dimethylsilyl]propyl 2-methylprop-2-enoate?

The InChIKey is FGIDANFBTZTKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O5Si2/c1-21(2)22(23)27-12-9-18-29(6,7)20-10-19-28(4,5)17-8-11-25-15-16-26-14-13-24-3/h1,8-20H2,2-7H3.

What are the key properties of 3-[3-[3-[2-(2-methoxyethoxy)ethoxy]propyl-dimethylsilyl]propyl-dimethylsilyl]propyl 2-methylprop-2-enoate?

3-[3-[3-[2-(2-methoxyethoxy)ethoxy]propyl-dimethylsilyl]propyl-dimethylsilyl]propyl 2-methylprop-2-enoate has a molecular weight of 446.78 g/mol, XLogP of 5.37, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-[2-(2-methoxyethoxy)ethoxy]propyl-dimethylsilyl]propyl-dimethylsilyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 139645621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).