butyl-[2-[3-[[3-[[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethylazanium

C28H60N4O5Si2+2 — CID 88934860

About butyl-[2-[3-[[3-[[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethylazanium

butyl-[2-[3-[[3-[[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethylazanium (PubChem CID 88934860) has the molecular formula C28H60N4O5Si2+2 and a molecular weight of 588.98 g/mol. Its IUPAC name is butyl-[2-[3-[[3-[[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethylazanium.

Molecular Properties

• Compound Name: butyl-[2-[3-[[3-[[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethylazanium
• PubChem CID: 88934860
• Molecular Formula: C28H60N4O5Si2+2
• Molecular Weight: 588.98 g/mol
• Exact Mass: 588.41
• IUPAC Name: butyl-[2-[3-[[3-[[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethylazanium
• SMILES: C=C(C)C(=O)OCC[N+](C)(C)CC(=O)NCCC[Si](C)(C)O[Si](C)(C)CCCNC(=O)C[N+](C)(C)CCCC
• InChI: InChI=1S/C28H58N4O5Si2/c1-12-13-18-31(4,5)23-26(33)29-16-14-21-38(8,9)37-39(10,11)22-15-17-30-27(34)24-32(6,7)19-20-36-28(35)25(2)3/h2,12-24H2,1,3-11H3/p+2
• InChIKey: RWVAFJGLNSQTFY-UHFFFAOYSA-P
• XLogP: 3.50
• TPSA: 93.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 21
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.98
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butyl-[2-[3-[[3-[[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethylazanium?

The IUPAC name of butyl-[2-[3-[[3-[[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethylazanium (CID 88934860) is butyl-[2-[3-[[3-[[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethylazanium.

What is the SMILES notation for butyl-[2-[3-[[3-[[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethylazanium?

The canonical SMILES for butyl-[2-[3-[[3-[[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethylazanium is C=C(C)C(=O)OCC[N+](C)(C)CC(=O)NCCC[Si](C)(C)O[Si](C)(C)CCCNC(=O)C[N+](C)(C)CCCC.

What is the InChIKey of butyl-[2-[3-[[3-[[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethylazanium?

The InChIKey is RWVAFJGLNSQTFY-UHFFFAOYSA-P. The full InChI is InChI=1S/C28H58N4O5Si2/c1-12-13-18-31(4,5)23-26(33)29-16-14-21-38(8,9)37-39(10,11)22-15-17-30-27(34)24-32(6,7)19-20-36-28(35)25(2)3/h2,12-24H2,1,3-11H3/p+2.

What are the key properties of butyl-[2-[3-[[3-[[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethylazanium?

butyl-[2-[3-[[3-[[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethylazanium has a molecular weight of 588.98 g/mol, XLogP of 3.50, 21 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for butyl-[2-[3-[[3-[[2-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]acetyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethylazanium is sourced from PubChem (CID 88934860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).