4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline

C29H45NO5Si — CID 140511057

About 4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline

4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline (PubChem CID 140511057) has the molecular formula C29H45NO5Si and a molecular weight of 515.77 g/mol. Its IUPAC name is 4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline.

Molecular Properties

• Compound Name: 4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline
• PubChem CID: 140511057
• Molecular Formula: C29H45NO5Si
• Molecular Weight: 515.77 g/mol
• Exact Mass: 515.31
• IUPAC Name: 4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline
• SMILES: CNc1ccc(C=Cc2ccc(OCCOCCOCCOCCO[Si](C)(C)C(C)(C)C)cc2)cc1
• InChI: InChI=1S/C29H45NO5Si/c1-29(2,3)36(5,6)35-24-22-33-20-18-31-17-19-32-21-23-34-28-15-11-26(12-16-28)8-7-25-9-13-27(30-4)14-10-25/h7-16,30H,17-24H2,1-6H3
• InChIKey: COKRQMZOUOWODZ-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 58.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.77
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline?

The IUPAC name of 4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline (CID 140511057) is 4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline.

What is the SMILES notation for 4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline?

The canonical SMILES for 4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline is CNc1ccc(C=Cc2ccc(OCCOCCOCCOCCO[Si](C)(C)C(C)(C)C)cc2)cc1.

What is the InChIKey of 4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline?

The InChIKey is COKRQMZOUOWODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45NO5Si/c1-29(2,3)36(5,6)35-24-22-33-20-18-31-17-19-32-21-23-34-28-15-11-26(12-16-28)8-7-25-9-13-27(30-4)14-10-25/h7-16,30H,17-24H2,1-6H3.

What are the key properties of 4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline?

4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline has a molecular weight of 515.77 g/mol, XLogP of 6.35, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline is sourced from PubChem (CID 140511057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).