ethenyl-[3-[2-[4-[2-[4-[2-[2-[3-[ethenyl(dimethyl)silyl]propoxy]ethoxyperoxy]ethenoxy]phenyl]propan-2-yl]phenoxy]ethoxy]propyl]-dimethylsilane

C35H54O7Si2 — CID 90996921

About ethenyl-[3-[2-[4-[2-[4-[2-[2-[3-[ethenyl(dimethyl)silyl]propoxy]ethoxyperoxy]ethenoxy]phenyl]propan-2-yl]phenoxy]ethoxy]propyl]-dimethylsilane

ethenyl-[3-[2-[4-[2-[4-[2-[2-[3-[ethenyl(dimethyl)silyl]propoxy]ethoxyperoxy]ethenoxy]phenyl]propan-2-yl]phenoxy]ethoxy]propyl]-dimethylsilane (PubChem CID 90996921) has the molecular formula C35H54O7Si2 and a molecular weight of 642.98 g/mol. Its IUPAC name is ethenyl-[3-[2-[4-[2-[4-[2-[2-[3-[ethenyl(dimethyl)silyl]propoxy]ethoxyperoxy]ethenoxy]phenyl]propan-2-yl]phenoxy]ethoxy]propyl]-dimethylsilane.

Molecular Properties

• Compound Name: ethenyl-[3-[2-[4-[2-[4-[2-[2-[3-[ethenyl(dimethyl)silyl]propoxy]ethoxyperoxy]ethenoxy]phenyl]propan-2-yl]phenoxy]ethoxy]propyl]-dimethylsilane
• PubChem CID: 90996921
• Molecular Formula: C35H54O7Si2
• Molecular Weight: 642.98 g/mol
• Exact Mass: 642.34
• IUPAC Name: ethenyl-[3-[2-[4-[2-[4-[2-[2-[3-[ethenyl(dimethyl)silyl]propoxy]ethoxyperoxy]ethenoxy]phenyl]propan-2-yl]phenoxy]ethoxy]propyl]-dimethylsilane
• SMILES: C=C[Si](C)(C)CCCOCCOOOC=COc1ccc(C(C)(C)c2ccc(OCCOCCC[Si](C)(C)C=C)cc2)cc1
• InChI: InChI=1S/C35H54O7Si2/c1-9-43(5,6)29-11-21-36-23-25-38-33-17-13-31(14-18-33)35(3,4)32-15-19-34(20-16-32)39-26-28-41-42-40-27-24-37-22-12-30-44(7,8)10-2/h9-10,13-20,26,28H,1-2,11-12,21-25,27,29-30H2,3-8H3
• InChIKey: LXYHFJCQNDOALW-UHFFFAOYSA-N
• XLogP: 8.80
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 24
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.98
LogP ≤ 5	8.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethenyl-[3-[2-[4-[2-[4-[2-[2-[3-[ethenyl(dimethyl)silyl]propoxy]ethoxyperoxy]ethenoxy]phenyl]propan-2-yl]phenoxy]ethoxy]propyl]-dimethylsilane?

The IUPAC name of ethenyl-[3-[2-[4-[2-[4-[2-[2-[3-[ethenyl(dimethyl)silyl]propoxy]ethoxyperoxy]ethenoxy]phenyl]propan-2-yl]phenoxy]ethoxy]propyl]-dimethylsilane (CID 90996921) is ethenyl-[3-[2-[4-[2-[4-[2-[2-[3-[ethenyl(dimethyl)silyl]propoxy]ethoxyperoxy]ethenoxy]phenyl]propan-2-yl]phenoxy]ethoxy]propyl]-dimethylsilane.

What is the SMILES notation for ethenyl-[3-[2-[4-[2-[4-[2-[2-[3-[ethenyl(dimethyl)silyl]propoxy]ethoxyperoxy]ethenoxy]phenyl]propan-2-yl]phenoxy]ethoxy]propyl]-dimethylsilane?

The canonical SMILES for ethenyl-[3-[2-[4-[2-[4-[2-[2-[3-[ethenyl(dimethyl)silyl]propoxy]ethoxyperoxy]ethenoxy]phenyl]propan-2-yl]phenoxy]ethoxy]propyl]-dimethylsilane is C=C[Si](C)(C)CCCOCCOOOC=COc1ccc(C(C)(C)c2ccc(OCCOCCC[Si](C)(C)C=C)cc2)cc1.

What is the InChIKey of ethenyl-[3-[2-[4-[2-[4-[2-[2-[3-[ethenyl(dimethyl)silyl]propoxy]ethoxyperoxy]ethenoxy]phenyl]propan-2-yl]phenoxy]ethoxy]propyl]-dimethylsilane?

The InChIKey is LXYHFJCQNDOALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H54O7Si2/c1-9-43(5,6)29-11-21-36-23-25-38-33-17-13-31(14-18-33)35(3,4)32-15-19-34(20-16-32)39-26-28-41-42-40-27-24-37-22-12-30-44(7,8)10-2/h9-10,13-20,26,28H,1-2,11-12,21-25,27,29-30H2,3-8H3.

What are the key properties of ethenyl-[3-[2-[4-[2-[4-[2-[2-[3-[ethenyl(dimethyl)silyl]propoxy]ethoxyperoxy]ethenoxy]phenyl]propan-2-yl]phenoxy]ethoxy]propyl]-dimethylsilane?

ethenyl-[3-[2-[4-[2-[4-[2-[2-[3-[ethenyl(dimethyl)silyl]propoxy]ethoxyperoxy]ethenoxy]phenyl]propan-2-yl]phenoxy]ethoxy]propyl]-dimethylsilane has a molecular weight of 642.98 g/mol, XLogP of 8.80, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethenyl-[3-[2-[4-[2-[4-[2-[2-[3-[ethenyl(dimethyl)silyl]propoxy]ethoxyperoxy]ethenoxy]phenyl]propan-2-yl]phenoxy]ethoxy]propyl]-dimethylsilane is sourced from PubChem (CID 90996921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).