formaldehyde;3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methyl-(5-oxopentyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate

C24H50O8Si3 — CID 160893632

About formaldehyde;3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methyl-(5-oxopentyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate

formaldehyde;3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methyl-(5-oxopentyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate (PubChem CID 160893632) has the molecular formula C24H50O8Si3 and a molecular weight of 550.91 g/mol. Its IUPAC name is formaldehyde;3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methyl-(5-oxopentyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: formaldehyde;3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methyl-(5-oxopentyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
• PubChem CID: 160893632
• Molecular Formula: C24H50O8Si3
• Molecular Weight: 550.91 g/mol
• Exact Mass: 550.28
• IUPAC Name: formaldehyde;3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methyl-(5-oxopentyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCC[Si](C)(C)O[Si](C)(CCCCC=O)O[Si](C)(C)CCCOCCOC.C=O
• InChI: InChI=1S/C23H48O7Si3.CH2O/c1-22(2)23(25)28-16-13-20-32(6,7)30-33(8,21-11-9-10-14-24)29-31(4,5)19-12-15-27-18-17-26-3;1-2/h14H,1,9-13,15-21H2,2-8H3;1H2
• InChIKey: SOOZZPSSWBKVFC-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 97.36 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.91
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 formaldehyde;3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methyl-(5-oxopentyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate?

The IUPAC name of formaldehyde;3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methyl-(5-oxopentyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate (CID 160893632) is formaldehyde;3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methyl-(5-oxopentyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate.

What is the SMILES notation for formaldehyde;3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methyl-(5-oxopentyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate?

The canonical SMILES for formaldehyde;3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methyl-(5-oxopentyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](C)(C)O[Si](C)(CCCCC=O)O[Si](C)(C)CCCOCCOC.C=O.

What is the InChIKey of formaldehyde;3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methyl-(5-oxopentyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate?

The InChIKey is SOOZZPSSWBKVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O7Si3.CH2O/c1-22(2)23(25)28-16-13-20-32(6,7)30-33(8,21-11-9-10-14-24)29-31(4,5)19-12-15-27-18-17-26-3;1-2/h14H,1,9-13,15-21H2,2-8H3;1H2.

What are the key properties of formaldehyde;3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methyl-(5-oxopentyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate?

formaldehyde;3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methyl-(5-oxopentyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate has a molecular weight of 550.91 g/mol, XLogP of 5.25, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for formaldehyde;3-[[[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-methyl-(5-oxopentyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 160893632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).