[6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethyl-prop-2-ynylazanium

C23H49N2O4Si4+ — CID 169031165

About [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethyl-prop-2-ynylazanium

[6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethyl-prop-2-ynylazanium (PubChem CID 169031165) has the molecular formula C23H49N2O4Si4+ and a molecular weight of 530.00 g/mol. Its IUPAC name is [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethyl-prop-2-ynylazanium.

Molecular Properties

• Compound Name: [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethyl-prop-2-ynylazanium
• PubChem CID: 169031165
• Molecular Formula: C23H49N2O4Si4+
• Molecular Weight: 530.00 g/mol
• Exact Mass: 529.28
• IUPAC Name: [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethyl-prop-2-ynylazanium
• SMILES: C#CC[N+](C)(C)CCCCCC(=O)NCCC[Si](C[Si](=O)CC)(C[Si](=O)CC)O[Si](C)(C)C
• InChI: InChI=1S/C23H48N2O4Si4/c1-9-18-25(4,5)19-14-12-13-16-23(26)24-17-15-20-33(21-30(27)10-2,22-31(28)11-3)29-32(6,7)8/h1H,10-22H2,2-8H3/p+1
• InChIKey: IBIOECBDJCRVSV-UHFFFAOYSA-O
• XLogP: 4.52
• TPSA: 72.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 19
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.00
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethyl-prop-2-ynylazanium?

The IUPAC name of [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethyl-prop-2-ynylazanium (CID 169031165) is [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethyl-prop-2-ynylazanium.

What is the SMILES notation for [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethyl-prop-2-ynylazanium?

The canonical SMILES for [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethyl-prop-2-ynylazanium is C#CC[N+](C)(C)CCCCCC(=O)NCCC[Si](C[Si](=O)CC)(C[Si](=O)CC)O[Si](C)(C)C.

What is the InChIKey of [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethyl-prop-2-ynylazanium?

The InChIKey is IBIOECBDJCRVSV-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H48N2O4Si4/c1-9-18-25(4,5)19-14-12-13-16-23(26)24-17-15-20-33(21-30(27)10-2,22-31(28)11-3)29-32(6,7)8/h1H,10-22H2,2-8H3/p+1.

What are the key properties of [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethyl-prop-2-ynylazanium?

[6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethyl-prop-2-ynylazanium has a molecular weight of 530.00 g/mol, XLogP of 4.52, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[3-[bis[[ethyl(oxo)silyl]methyl]-trimethylsilyloxysilyl]propylamino]-6-oxohexyl]-dimethyl-prop-2-ynylazanium is sourced from PubChem (CID 169031165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).