N-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methanimine

C80H92N4O16Si4 — CID 102109433

About N-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methanimine

N-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methanimine (PubChem CID 102109433) has the molecular formula C80H92N4O16Si4 and a molecular weight of 1477.97 g/mol. Its IUPAC name is N-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methanimine.

Molecular Properties

• Compound Name: N-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methanimine
• PubChem CID: 102109433
• Molecular Formula: C80H92N4O16Si4
• Molecular Weight: 1477.97 g/mol
• Exact Mass: 1476.56
• IUPAC Name: N-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methanimine
• SMILES: C[Si]1(CCCOc2ccc(/C=N/c3ccc(OCC4CO4)cc3)cc2)O[Si](C)(CCCOc2ccc(/C=N/c3ccc(OCC4CO4)cc3)cc2)O[Si](C)(CCCOc2ccc(/C=N/c3ccc(OCC4CO4)cc3)cc2)O[Si](C)(CCCOc2ccc(/C=N/c3ccc(OCC4CO4)cc3)cc2)O1
• InChI: InChI=1S/C80H92N4O16Si4/c1-101(45-5-41-85-69-25-9-61(10-26-69)49-81-65-17-33-73(34-18-65)89-53-77-57-93-77)97-102(2,46-6-42-86-70-27-11-62(12-28-70)50-82-66-19-35-74(36-20-66)90-54-78-58-94-78)99-104(4,48-8-44-88-72-31-15-64(16-32-72)52-84-68-23-39-76(40-24-68)92-56-80-60-96-80)100-103(3,98-101)47-7-43-87-71-29-13-63(14-30-71)51-83-67-21-37-75(38-22-67)91-55-79-59-95-79/h9-40,49-52,77-80H,5-8,41-48,53-60H2,1-4H3/b81-49+,82-50+,83-51+,84-52+
• InChIKey: MGPPYYVCQWMPEM-ADOHMYPNSA-N
• XLogP: 16.34
• TPSA: 210.32 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 40
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1477.97
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methanimine?

The IUPAC name of N-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methanimine (CID 102109433) is N-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methanimine.

What is the SMILES notation for N-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methanimine?

The canonical SMILES for N-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methanimine is C[Si]1(CCCOc2ccc(/C=N/c3ccc(OCC4CO4)cc3)cc2)O[Si](C)(CCCOc2ccc(/C=N/c3ccc(OCC4CO4)cc3)cc2)O[Si](C)(CCCOc2ccc(/C=N/c3ccc(OCC4CO4)cc3)cc2)O[Si](C)(CCCOc2ccc(/C=N/c3ccc(OCC4CO4)cc3)cc2)O1.

What is the InChIKey of N-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methanimine?

The InChIKey is MGPPYYVCQWMPEM-ADOHMYPNSA-N. The full InChI is InChI=1S/C80H92N4O16Si4/c1-101(45-5-41-85-69-25-9-61(10-26-69)49-81-65-17-33-73(34-18-65)89-53-77-57-93-77)97-102(2,46-6-42-86-70-27-11-62(12-28-70)50-82-66-19-35-74(36-20-66)90-54-78-58-94-78)99-104(4,48-8-44-88-72-31-15-64(16-32-72)52-84-68-23-39-76(40-24-68)92-56-80-60-96-80)100-103(3,98-101)47-7-43-87-71-29-13-63(14-30-71)51-83-67-21-37-75(38-22-67)91-55-79-59-95-79/h9-40,49-52,77-80H,5-8,41-48,53-60H2,1-4H3/b81-49+,82-50+,83-51+,84-52+.

What are the key properties of N-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methanimine?

N-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methanimine has a molecular weight of 1477.97 g/mol, XLogP of 16.34, 40 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(oxiran-2-ylmethoxy)phenyl]-1-[4-[3-[2,4,6,8-tetramethyl-4,6,8-tris[3-[4-[[4-(oxiran-2-ylmethoxy)phenyl]iminomethyl]phenoxy]propyl]-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propoxy]phenyl]methanimine is sourced from PubChem (CID 102109433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).