2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-naphthalen-1-ylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C56H64O4Si4 — CID 58856768

About 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-naphthalen-1-ylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-naphthalen-1-ylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 58856768) has the molecular formula C56H64O4Si4 and a molecular weight of 913.47 g/mol. Its IUPAC name is 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-naphthalen-1-ylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

• Compound Name: 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-naphthalen-1-ylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
• PubChem CID: 58856768
• Molecular Formula: C56H64O4Si4
• Molecular Weight: 913.47 g/mol
• Exact Mass: 912.39
• IUPAC Name: 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-naphthalen-1-ylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
• SMILES: CC(C[Si]1(C)O[Si](C)(CC(C)c2cccc3ccccc23)O[Si](C)(CC(C)c2cccc3ccccc23)O[Si](C)(CC(C)c2cccc3ccccc23)O1)c1cccc2ccccc12
• InChI: InChI=1S/C56H64O4Si4/c1-41(49-33-17-25-45-21-9-13-29-53(45)49)37-61(5)57-62(6,38-42(2)50-34-18-26-46-22-10-14-30-54(46)50)59-64(8,40-44(4)52-36-20-28-48-24-12-16-32-56(48)52)60-63(7,58-61)39-43(3)51-35-19-27-47-23-11-15-31-55(47)51/h9-36,41-44H,37-40H2,1-8H3
• InChIKey: OUIOFZPEUBQXTQ-UHFFFAOYSA-N
• XLogP: 16.18
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.47
LogP ≤ 5	16.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-naphthalen-1-ylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?

The IUPAC name of 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-naphthalen-1-ylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 58856768) is 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-naphthalen-1-ylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

What is the SMILES notation for 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-naphthalen-1-ylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?

The canonical SMILES for 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-naphthalen-1-ylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CC(C[Si]1(C)O[Si](C)(CC(C)c2cccc3ccccc23)O[Si](C)(CC(C)c2cccc3ccccc23)O[Si](C)(CC(C)c2cccc3ccccc23)O1)c1cccc2ccccc12.

What is the InChIKey of 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-naphthalen-1-ylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?

The InChIKey is OUIOFZPEUBQXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H64O4Si4/c1-41(49-33-17-25-45-21-9-13-29-53(45)49)37-61(5)57-62(6,38-42(2)50-34-18-26-46-22-10-14-30-54(46)50)59-64(8,40-44(4)52-36-20-28-48-24-12-16-32-56(48)52)60-63(7,58-61)39-43(3)51-35-19-27-47-23-11-15-31-55(47)51/h9-36,41-44H,37-40H2,1-8H3.

What are the key properties of 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-naphthalen-1-ylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?

2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-naphthalen-1-ylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 913.47 g/mol, XLogP of 16.18, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(2-naphthalen-1-ylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 58856768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).