[11-[dimethoxy(phenyl)silyl]-6,6-bis[5-[dimethoxy(phenyl)silyl]pentyl]undecyl]-dimethoxy-phenylsilane

C53H84O8Si4 — CID 87833172

About [11-[dimethoxy(phenyl)silyl]-6,6-bis[5-[dimethoxy(phenyl)silyl]pentyl]undecyl]-dimethoxy-phenylsilane

[11-[dimethoxy(phenyl)silyl]-6,6-bis[5-[dimethoxy(phenyl)silyl]pentyl]undecyl]-dimethoxy-phenylsilane (PubChem CID 87833172) has the molecular formula C53H84O8Si4 and a molecular weight of 961.59 g/mol. Its IUPAC name is [11-[dimethoxy(phenyl)silyl]-6,6-bis[5-[dimethoxy(phenyl)silyl]pentyl]undecyl]-dimethoxy-phenylsilane.

Molecular Properties

• Compound Name: [11-[dimethoxy(phenyl)silyl]-6,6-bis[5-[dimethoxy(phenyl)silyl]pentyl]undecyl]-dimethoxy-phenylsilane
• PubChem CID: 87833172
• Molecular Formula: C53H84O8Si4
• Molecular Weight: 961.59 g/mol
• Exact Mass: 960.52
• IUPAC Name: [11-[dimethoxy(phenyl)silyl]-6,6-bis[5-[dimethoxy(phenyl)silyl]pentyl]undecyl]-dimethoxy-phenylsilane
• SMILES: CO[Si](CCCCCC(CCCCC[Si](OC)(OC)c1ccccc1)(CCCCC[Si](OC)(OC)c1ccccc1)CCCCC[Si](OC)(OC)c1ccccc1)(OC)c1ccccc1
• InChI: InChI=1S/C53H84O8Si4/c1-54-62(55-2,49-33-17-9-18-34-49)45-29-13-25-41-53(42-26-14-30-46-63(56-3,57-4)50-35-19-10-20-36-50,43-27-15-31-47-64(58-5,59-6)51-37-21-11-22-38-51)44-28-16-32-48-65(60-7,61-8)52-39-23-12-24-40-52/h9-12,17-24,33-40H,13-16,25-32,41-48H2,1-8H3
• InChIKey: JNWOAPPUBCQTDU-UHFFFAOYSA-N
• XLogP: 10.78
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 36
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	961.59
LogP ≤ 5	10.78
H-Bond Donors ≤ 5	0
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'}

Frequently Asked Questions

What is the IUPAC name of [11-[dimethoxy(phenyl)silyl]-6,6-bis[5-[dimethoxy(phenyl)silyl]pentyl]undecyl]-dimethoxy-phenylsilane?

The IUPAC name of [11-[dimethoxy(phenyl)silyl]-6,6-bis[5-[dimethoxy(phenyl)silyl]pentyl]undecyl]-dimethoxy-phenylsilane (CID 87833172) is [11-[dimethoxy(phenyl)silyl]-6,6-bis[5-[dimethoxy(phenyl)silyl]pentyl]undecyl]-dimethoxy-phenylsilane.

What is the SMILES notation for [11-[dimethoxy(phenyl)silyl]-6,6-bis[5-[dimethoxy(phenyl)silyl]pentyl]undecyl]-dimethoxy-phenylsilane?

The canonical SMILES for [11-[dimethoxy(phenyl)silyl]-6,6-bis[5-[dimethoxy(phenyl)silyl]pentyl]undecyl]-dimethoxy-phenylsilane is CO[Si](CCCCCC(CCCCC[Si](OC)(OC)c1ccccc1)(CCCCC[Si](OC)(OC)c1ccccc1)CCCCC[Si](OC)(OC)c1ccccc1)(OC)c1ccccc1.

What is the InChIKey of [11-[dimethoxy(phenyl)silyl]-6,6-bis[5-[dimethoxy(phenyl)silyl]pentyl]undecyl]-dimethoxy-phenylsilane?

The InChIKey is JNWOAPPUBCQTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H84O8Si4/c1-54-62(55-2,49-33-17-9-18-34-49)45-29-13-25-41-53(42-26-14-30-46-63(56-3,57-4)50-35-19-10-20-36-50,43-27-15-31-47-64(58-5,59-6)51-37-21-11-22-38-51)44-28-16-32-48-65(60-7,61-8)52-39-23-12-24-40-52/h9-12,17-24,33-40H,13-16,25-32,41-48H2,1-8H3.

What are the key properties of [11-[dimethoxy(phenyl)silyl]-6,6-bis[5-[dimethoxy(phenyl)silyl]pentyl]undecyl]-dimethoxy-phenylsilane?

[11-[dimethoxy(phenyl)silyl]-6,6-bis[5-[dimethoxy(phenyl)silyl]pentyl]undecyl]-dimethoxy-phenylsilane has a molecular weight of 961.59 g/mol, XLogP of 10.78, 36 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [11-[dimethoxy(phenyl)silyl]-6,6-bis[5-[dimethoxy(phenyl)silyl]pentyl]undecyl]-dimethoxy-phenylsilane is sourced from PubChem (CID 87833172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).