trimethyl-[3-[3-[5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-4-[3-[3-(trioxidanylsulfanyl)propoxy]phenyl]pentan-2-yl]phenoxy]propyl]silane

C35H57NO6SSi — CID 58983923

About trimethyl-[3-[3-[5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-4-[3-[3-(trioxidanylsulfanyl)propoxy]phenyl]pentan-2-yl]phenoxy]propyl]silane

trimethyl-[3-[3-[5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-4-[3-[3-(trioxidanylsulfanyl)propoxy]phenyl]pentan-2-yl]phenoxy]propyl]silane (PubChem CID 58983923) has the molecular formula C35H57NO6SSi and a molecular weight of 647.99 g/mol. Its IUPAC name is trimethyl-[3-[3-[5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-4-[3-[3-(trioxidanylsulfanyl)propoxy]phenyl]pentan-2-yl]phenoxy]propyl]silane.

Molecular Properties

• Compound Name: trimethyl-[3-[3-[5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-4-[3-[3-(trioxidanylsulfanyl)propoxy]phenyl]pentan-2-yl]phenoxy]propyl]silane
• PubChem CID: 58983923
• Molecular Formula: C35H57NO6SSi
• Molecular Weight: 647.99 g/mol
• Exact Mass: 647.37
• IUPAC Name: trimethyl-[3-[3-[5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-4-[3-[3-(trioxidanylsulfanyl)propoxy]phenyl]pentan-2-yl]phenoxy]propyl]silane
• SMILES: CC(CC(CON1C(C)(C)CCCC1(C)C)c1cccc(OCCCSOOO)c1)c1cccc(OCCC[Si](C)(C)C)c1
• InChI: InChI=1S/C35H57NO6SSi/c1-28(29-14-9-16-32(25-29)39-21-13-23-44(6,7)8)24-31(27-40-36-34(2,3)18-11-19-35(36,4)5)30-15-10-17-33(26-30)38-20-12-22-43-42-41-37/h9-10,14-17,25-26,28,31,37H,11-13,18-24,27H2,1-8H3
• InChIKey: CJNRIBKKBIQNFK-UHFFFAOYSA-N
• XLogP: 9.88
• TPSA: 69.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.99
LogP ≤ 5	9.88
H-Bond Donors ≤ 5	1
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[3-[5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-4-[3-[3-(trioxidanylsulfanyl)propoxy]phenyl]pentan-2-yl]phenoxy]propyl]silane?

The IUPAC name of trimethyl-[3-[3-[5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-4-[3-[3-(trioxidanylsulfanyl)propoxy]phenyl]pentan-2-yl]phenoxy]propyl]silane (CID 58983923) is trimethyl-[3-[3-[5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-4-[3-[3-(trioxidanylsulfanyl)propoxy]phenyl]pentan-2-yl]phenoxy]propyl]silane.

What is the SMILES notation for trimethyl-[3-[3-[5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-4-[3-[3-(trioxidanylsulfanyl)propoxy]phenyl]pentan-2-yl]phenoxy]propyl]silane?

The canonical SMILES for trimethyl-[3-[3-[5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-4-[3-[3-(trioxidanylsulfanyl)propoxy]phenyl]pentan-2-yl]phenoxy]propyl]silane is CC(CC(CON1C(C)(C)CCCC1(C)C)c1cccc(OCCCSOOO)c1)c1cccc(OCCC[Si](C)(C)C)c1.

What is the InChIKey of trimethyl-[3-[3-[5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-4-[3-[3-(trioxidanylsulfanyl)propoxy]phenyl]pentan-2-yl]phenoxy]propyl]silane?

The InChIKey is CJNRIBKKBIQNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H57NO6SSi/c1-28(29-14-9-16-32(25-29)39-21-13-23-44(6,7)8)24-31(27-40-36-34(2,3)18-11-19-35(36,4)5)30-15-10-17-33(26-30)38-20-12-22-43-42-41-37/h9-10,14-17,25-26,28,31,37H,11-13,18-24,27H2,1-8H3.

What are the key properties of trimethyl-[3-[3-[5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-4-[3-[3-(trioxidanylsulfanyl)propoxy]phenyl]pentan-2-yl]phenoxy]propyl]silane?

trimethyl-[3-[3-[5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-4-[3-[3-(trioxidanylsulfanyl)propoxy]phenyl]pentan-2-yl]phenoxy]propyl]silane has a molecular weight of 647.99 g/mol, XLogP of 9.88, 19 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[3-[3-[5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-4-[3-[3-(trioxidanylsulfanyl)propoxy]phenyl]pentan-2-yl]phenoxy]propyl]silane is sourced from PubChem (CID 58983923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).