4-[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]butyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;hydrobromide

C24H58BrN2O3Si4+ — CID 157309870

About 4-[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]butyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;hydrobromide

4-[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]butyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;hydrobromide (PubChem CID 157309870) has the molecular formula C24H58BrN2O3Si4+ and a molecular weight of 614.99 g/mol. Its IUPAC name is 4-[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]butyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;hydrobromide.

Molecular Properties

• Compound Name: 4-[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]butyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;hydrobromide
• PubChem CID: 157309870
• Molecular Formula: C24H58BrN2O3Si4+
• Molecular Weight: 614.99 g/mol
• Exact Mass: 613.27
• IUPAC Name: 4-[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]butyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;hydrobromide
• SMILES: Br.C=C(C)C(=O)NCCC[N+](C)(C)CCCC[Si](C)(C)O[Si](C)(C)CC[Si](C)(C)O[Si](C)(C)C
• InChI: InChI=1S/C24H56N2O3Si4.BrH/c1-23(2)24(27)25-17-16-19-26(3,4)18-14-15-20-31(8,9)29-33(12,13)22-21-32(10,11)28-30(5,6)7;/h1,14-22H2,2-13H3;1H/p+1
• InChIKey: LSEKUBHFTQLOGW-UHFFFAOYSA-O
• XLogP: 6.99
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 17
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.99
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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 4-[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]butyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;hydrobromide?

The IUPAC name of 4-[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]butyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;hydrobromide (CID 157309870) is 4-[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]butyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;hydrobromide.

What is the SMILES notation for 4-[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]butyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;hydrobromide?

The canonical SMILES for 4-[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]butyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;hydrobromide is Br.C=C(C)C(=O)NCCC[N+](C)(C)CCCC[Si](C)(C)O[Si](C)(C)CC[Si](C)(C)O[Si](C)(C)C.

What is the InChIKey of 4-[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]butyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;hydrobromide?

The InChIKey is LSEKUBHFTQLOGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H56N2O3Si4.BrH/c1-23(2)24(27)25-17-16-19-26(3,4)18-14-15-20-31(8,9)29-33(12,13)22-21-32(10,11)28-30(5,6)7;/h1,14-22H2,2-13H3;1H/p+1.

What are the key properties of 4-[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]butyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;hydrobromide?

4-[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]butyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;hydrobromide has a molecular weight of 614.99 g/mol, XLogP of 6.99, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[dimethyl(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]butyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;hydrobromide is sourced from PubChem (CID 157309870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).