(Z,2S,3R,4S,5R)-N,N'-dimethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexane-1,6-diimine

C20H48N2O6Si4 — CID 101280132

About (Z,2S,3R,4S,5R)-N,N'-dimethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexane-1,6-diimine

(Z,2S,3R,4S,5R)-N,N'-dimethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexane-1,6-diimine (PubChem CID 101280132) has the molecular formula C20H48N2O6Si4 and a molecular weight of 524.96 g/mol. Its IUPAC name is (Z,2S,3R,4S,5R)-N,N'-dimethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexane-1,6-diimine.

Molecular Properties

• Compound Name: (Z,2S,3R,4S,5R)-N,N'-dimethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexane-1,6-diimine
• PubChem CID: 101280132
• Molecular Formula: C20H48N2O6Si4
• Molecular Weight: 524.96 g/mol
• Exact Mass: 524.26
• IUPAC Name: (Z,2S,3R,4S,5R)-N,N'-dimethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexane-1,6-diimine
• SMILES: CO/N=C\[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](/C=N\OC)O[Si](C)(C)C
• InChI: InChI=1S/C20H48N2O6Si4/c1-23-21-15-17(25-29(3,4)5)19(27-31(9,10)11)20(28-32(12,13)14)18(16-22-24-2)26-30(6,7)8/h15-20H,1-14H3/b21-15-,22-16-/t17-,18+,19+,20-
• InChIKey: QLGCNHXGJIUDLW-ZBJMIGIXSA-N
• XLogP: 5.13
• TPSA: 80.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.96
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z,2S,3R,4S,5R)-N,N'-dimethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexane-1,6-diimine?

The IUPAC name of (Z,2S,3R,4S,5R)-N,N'-dimethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexane-1,6-diimine (CID 101280132) is (Z,2S,3R,4S,5R)-N,N'-dimethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexane-1,6-diimine.

What is the SMILES notation for (Z,2S,3R,4S,5R)-N,N'-dimethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexane-1,6-diimine?

The canonical SMILES for (Z,2S,3R,4S,5R)-N,N'-dimethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexane-1,6-diimine is CO/N=C\[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](/C=N\OC)O[Si](C)(C)C.

What is the InChIKey of (Z,2S,3R,4S,5R)-N,N'-dimethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexane-1,6-diimine?

The InChIKey is QLGCNHXGJIUDLW-ZBJMIGIXSA-N. The full InChI is InChI=1S/C20H48N2O6Si4/c1-23-21-15-17(25-29(3,4)5)19(27-31(9,10)11)20(28-32(12,13)14)18(16-22-24-2)26-30(6,7)8/h15-20H,1-14H3/b21-15-,22-16-/t17-,18+,19+,20-.

What are the key properties of (Z,2S,3R,4S,5R)-N,N'-dimethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexane-1,6-diimine?

(Z,2S,3R,4S,5R)-N,N'-dimethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexane-1,6-diimine has a molecular weight of 524.96 g/mol, XLogP of 5.13, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (Z,2S,3R,4S,5R)-N,N'-dimethoxy-2,3,4,5-tetrakis(trimethylsilyloxy)hexane-1,6-diimine is sourced from PubChem (CID 101280132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).