2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate

C36H56O9Si — CID 11388241

About 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate

2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate (PubChem CID 11388241) has the molecular formula C36H56O9Si and a molecular weight of 660.92 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate
• PubChem CID: 11388241
• Molecular Formula: C36H56O9Si
• Molecular Weight: 660.92 g/mol
• Exact Mass: 660.37
• IUPAC Name: 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate
• SMILES: C=CCC(C)(C)COC(=O)OCCOCCOCCOCCOCCOCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C36H56O9Si/c1-7-18-36(5,6)31-44-34(37)43-29-27-41-25-23-39-21-19-38-20-22-40-24-26-42-28-30-45-46(35(2,3)4,32-14-10-8-11-15-32)33-16-12-9-13-17-33/h7-17H,1,18-31H2,2-6H3
• InChIKey: RCRCKJCJBIXRGM-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 90.91 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 25
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.92
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate?

The IUPAC name of 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate (CID 11388241) is 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate is C=CCC(C)(C)COC(=O)OCCOCCOCCOCCOCCOCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate?

The InChIKey is RCRCKJCJBIXRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H56O9Si/c1-7-18-36(5,6)31-44-34(37)43-29-27-41-25-23-39-21-19-38-20-22-40-24-26-42-28-30-45-46(35(2,3)4,32-14-10-8-11-15-32)33-16-12-9-13-17-33/h7-17H,1,18-31H2,2-6H3.

What are the key properties of 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate?

2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate has a molecular weight of 660.92 g/mol, XLogP of 5.40, 25 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate is sourced from PubChem (CID 11388241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).