3-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate

C23H50O7Si3 — CID 158648892

About 3-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate

3-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate (PubChem CID 158648892) has the molecular formula C23H50O7Si3 and a molecular weight of 522.90 g/mol. Its IUPAC name is 3-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 3-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
• PubChem CID: 158648892
• Molecular Formula: C23H50O7Si3
• Molecular Weight: 522.90 g/mol
• Exact Mass: 522.29
• IUPAC Name: 3-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCC[Si](C)(C)O[Si](C)(CCCCOC)O[Si](C)(C)CCCOCCOC
• InChI: InChI=1S/C23H50O7Si3/c1-22(2)23(24)28-16-13-20-32(7,8)30-33(9,21-11-10-14-25-3)29-31(5,6)19-12-15-27-18-17-26-4/h1,10-21H2,2-9H3
• InChIKey: YBNQZWKDXMXYHS-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 72.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 21
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.90
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate?

The IUPAC name of 3-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate (CID 158648892) is 3-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate.

What is the SMILES notation for 3-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate?

The canonical SMILES for 3-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](C)(C)O[Si](C)(CCCCOC)O[Si](C)(C)CCCOCCOC.

What is the InChIKey of 3-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate?

The InChIKey is YBNQZWKDXMXYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O7Si3/c1-22(2)23(24)28-16-13-20-32(7,8)30-33(9,21-11-10-14-25-3)29-31(5,6)19-12-15-27-18-17-26-4/h1,10-21H2,2-9H3.

What are the key properties of 3-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate?

3-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate has a molecular weight of 522.90 g/mol, XLogP of 5.49, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-methoxybutyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 158648892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).