3-[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-[3-(2-hydroxyethoxy)propyl-methylsilyl]oxy-methylsilyl]propyl 2-methylprop-2-enoate

C21H46O8Si3 — CID 167565541

About 3-[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-[3-(2-hydroxyethoxy)propyl-methylsilyl]oxy-methylsilyl]propyl 2-methylprop-2-enoate

3-[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-[3-(2-hydroxyethoxy)propyl-methylsilyl]oxy-methylsilyl]propyl 2-methylprop-2-enoate (PubChem CID 167565541) has the molecular formula C21H46O8Si3 and a molecular weight of 510.85 g/mol. Its IUPAC name is 3-[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-[3-(2-hydroxyethoxy)propyl-methylsilyl]oxy-methylsilyl]propyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 3-[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-[3-(2-hydroxyethoxy)propyl-methylsilyl]oxy-methylsilyl]propyl 2-methylprop-2-enoate
• PubChem CID: 167565541
• Molecular Formula: C21H46O8Si3
• Molecular Weight: 510.85 g/mol
• Exact Mass: 510.25
• IUPAC Name: 3-[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-[3-(2-hydroxyethoxy)propyl-methylsilyl]oxy-methylsilyl]propyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCC[Si](C)(O[SiH](C)CCCOCCO)O[Si](C)(C)CCCOCCO
• InChI: InChI=1S/C21H46O8Si3/c1-20(2)21(24)27-14-9-19-32(6,28-30(3)17-7-12-25-15-10-22)29-31(4,5)18-8-13-26-16-11-23/h22-23,30H,1,7-19H2,2-6H3
• InChIKey: DCMIZDOHSSFDNK-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 103.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.85
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-[3-(2-hydroxyethoxy)propyl-methylsilyl]oxy-methylsilyl]propyl 2-methylprop-2-enoate?

The IUPAC name of 3-[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-[3-(2-hydroxyethoxy)propyl-methylsilyl]oxy-methylsilyl]propyl 2-methylprop-2-enoate (CID 167565541) is 3-[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-[3-(2-hydroxyethoxy)propyl-methylsilyl]oxy-methylsilyl]propyl 2-methylprop-2-enoate.

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

The canonical SMILES for 3-[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-[3-(2-hydroxyethoxy)propyl-methylsilyl]oxy-methylsilyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](C)(O[SiH](C)CCCOCCO)O[Si](C)(C)CCCOCCO.

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

The InChIKey is DCMIZDOHSSFDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O8Si3/c1-20(2)21(24)27-14-9-19-32(6,28-30(3)17-7-12-25-15-10-22)29-31(4,5)18-8-13-26-16-11-23/h22-23,30H,1,7-19H2,2-6H3.

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

3-[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-[3-(2-hydroxyethoxy)propyl-methylsilyl]oxy-methylsilyl]propyl 2-methylprop-2-enoate has a molecular weight of 510.85 g/mol, XLogP of 2.96, 21 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-(2-hydroxyethoxy)propyl-dimethylsilyl]oxy-[3-(2-hydroxyethoxy)propyl-methylsilyl]oxy-methylsilyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 167565541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).