1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane

C24H71NO5Si4 — CID 160676692

About 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane

1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane (PubChem CID 160676692) has the molecular formula C24H71NO5Si4 and a molecular weight of 566.18 g/mol. Its IUPAC name is 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane.

Molecular Properties

• Compound Name: 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane
• PubChem CID: 160676692
• Molecular Formula: C24H71NO5Si4
• Molecular Weight: 566.18 g/mol
• Exact Mass: 565.44
• IUPAC Name: 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane
• SMILES: C.C.C.C.C.C.CC(O)CN(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)CC(C)O
• InChI: InChI=1S/C18H47NO5Si4.6CH4/c1-17(20)15-19(16-18(2)21)13-12-14-28(11,23-26(6,7)8)24-27(9,10)22-25(3,4)5;;;;;;/h17-18,20-21H,12-16H2,1-11H3;6*1H4
• InChIKey: RNPUWEYWPMHMGC-UHFFFAOYSA-N
• XLogP: 7.75
• TPSA: 71.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.18
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane?

The IUPAC name of 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane (CID 160676692) is 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane.

What is the SMILES notation for 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane?

The canonical SMILES for 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane is C.C.C.C.C.C.CC(O)CN(CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)CC(C)O.

What is the InChIKey of 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane?

The InChIKey is RNPUWEYWPMHMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H47NO5Si4.6CH4/c1-17(20)15-19(16-18(2)21)13-12-14-28(11,23-26(6,7)8)24-27(9,10)22-25(3,4)5;;;;;;/h17-18,20-21H,12-16H2,1-11H3;6*1H4.

What are the key properties of 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane?

1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane has a molecular weight of 566.18 g/mol, XLogP of 7.75, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-(2-hydroxypropyl)amino]propan-2-ol;methane is sourced from PubChem (CID 160676692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).