2-trimethylsilylethyl N-[(E)-[(5E)-5-(2-trimethylsilylethoxycarbonylhydrazinylidene)hexan-2-ylidene]amino]carbamate

C18H38N4O4Si2 — CID 10693954

About 2-trimethylsilylethyl N-[(E)-[(5E)-5-(2-trimethylsilylethoxycarbonylhydrazinylidene)hexan-2-ylidene]amino]carbamate

2-trimethylsilylethyl N-[(E)-[(5E)-5-(2-trimethylsilylethoxycarbonylhydrazinylidene)hexan-2-ylidene]amino]carbamate (PubChem CID 10693954) has the molecular formula C18H38N4O4Si2 and a molecular weight of 430.70 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[(E)-[(5E)-5-(2-trimethylsilylethoxycarbonylhydrazinylidene)hexan-2-ylidene]amino]carbamate.

Molecular Properties

• Compound Name: 2-trimethylsilylethyl N-[(E)-[(5E)-5-(2-trimethylsilylethoxycarbonylhydrazinylidene)hexan-2-ylidene]amino]carbamate
• PubChem CID: 10693954
• Molecular Formula: C18H38N4O4Si2
• Molecular Weight: 430.70 g/mol
• Exact Mass: 430.24
• IUPAC Name: 2-trimethylsilylethyl N-[(E)-[(5E)-5-(2-trimethylsilylethoxycarbonylhydrazinylidene)hexan-2-ylidene]amino]carbamate
• SMILES: C/C(CC/C(C)=N/NC(=O)OCC[Si](C)(C)C)=N\NC(=O)OCC[Si](C)(C)C
• InChI: InChI=1S/C18H38N4O4Si2/c1-15(19-21-17(23)25-11-13-27(3,4)5)9-10-16(2)20-22-18(24)26-12-14-28(6,7)8/h9-14H2,1-8H3,(H,21,23)(H,22,24)/b19-15+,20-16+
• InChIKey: VUWDIPJUULHPCY-MXWIWYRXSA-N
• XLogP: 4.65
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.70
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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 2-trimethylsilylethyl N-[(E)-[(5E)-5-(2-trimethylsilylethoxycarbonylhydrazinylidene)hexan-2-ylidene]amino]carbamate?

The IUPAC name of 2-trimethylsilylethyl N-[(E)-[(5E)-5-(2-trimethylsilylethoxycarbonylhydrazinylidene)hexan-2-ylidene]amino]carbamate (CID 10693954) is 2-trimethylsilylethyl N-[(E)-[(5E)-5-(2-trimethylsilylethoxycarbonylhydrazinylidene)hexan-2-ylidene]amino]carbamate.

What is the SMILES notation for 2-trimethylsilylethyl N-[(E)-[(5E)-5-(2-trimethylsilylethoxycarbonylhydrazinylidene)hexan-2-ylidene]amino]carbamate?

The canonical SMILES for 2-trimethylsilylethyl N-[(E)-[(5E)-5-(2-trimethylsilylethoxycarbonylhydrazinylidene)hexan-2-ylidene]amino]carbamate is C/C(CC/C(C)=N/NC(=O)OCC[Si](C)(C)C)=N\NC(=O)OCC[Si](C)(C)C.

What is the InChIKey of 2-trimethylsilylethyl N-[(E)-[(5E)-5-(2-trimethylsilylethoxycarbonylhydrazinylidene)hexan-2-ylidene]amino]carbamate?

The InChIKey is VUWDIPJUULHPCY-MXWIWYRXSA-N. The full InChI is InChI=1S/C18H38N4O4Si2/c1-15(19-21-17(23)25-11-13-27(3,4)5)9-10-16(2)20-22-18(24)26-12-14-28(6,7)8/h9-14H2,1-8H3,(H,21,23)(H,22,24)/b19-15+,20-16+.

What are the key properties of 2-trimethylsilylethyl N-[(E)-[(5E)-5-(2-trimethylsilylethoxycarbonylhydrazinylidene)hexan-2-ylidene]amino]carbamate?

2-trimethylsilylethyl N-[(E)-[(5E)-5-(2-trimethylsilylethoxycarbonylhydrazinylidene)hexan-2-ylidene]amino]carbamate has a molecular weight of 430.70 g/mol, XLogP of 4.65, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-trimethylsilylethyl N-[(E)-[(5E)-5-(2-trimethylsilylethoxycarbonylhydrazinylidene)hexan-2-ylidene]amino]carbamate is sourced from PubChem (CID 10693954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).