3-[dihydroxy-tris[[dihydroxy-[3-(trimethylazaniumyl)propyl]silyl]oxy]silyloxysilyl]propyl-trimethylazanium

C24H68N4O12Si5+4 — CID 159273706

IUPAC3-[dihydroxy-tris[[dihydroxy-[3-(trimethylazaniumyl)propyl]silyl]oxy]silyloxysilyl]propyl-trimethylazanium
SMILESC[N+](C)(C)CCC[Si](O)(O)O[Si](O[Si](O)(O)CCC[N+](C)(C)C)(O[Si](O)(O)CCC[N+](C)(C)C)O[Si](O)(O)CCC[N+](C)(C)C
InChIInChI=1S/C24H68N4O12Si5/c1-25(2,3)17-13-21-41(29,30)37-45(38-42(31,32)22-14-18-26(4,5)6,39-43(33,34)23-15-19-27(7,8)9)40-44(35,36)24-16-20-28(10,11)12/h29-36H,13-24H2,1-12H3/q+4
InChIKeyZZZPEOOJTIJUSG-UHFFFAOYSA-N
MW745.25 g/mol
LogP-2.43
Rot. Bonds24

About 3-[dihydroxy-tris[[dihydroxy-[3-(trimethylazaniumyl)propyl]silyl]oxy]silyloxysilyl]propyl-trimethylazanium

3-[dihydroxy-tris[[dihydroxy-[3-(trimethylazaniumyl)propyl]silyl]oxy]silyloxysilyl]propyl-trimethylazanium (PubChem CID 159273706) has the molecular formula C24H68N4O12Si5+4 and a molecular weight of 745.25 g/mol. Its IUPAC name is 3-[dihydroxy-tris[[dihydroxy-[3-(trimethylazaniumyl)propyl]silyl]oxy]silyloxysilyl]propyl-trimethylazanium.

Molecular Properties

Compound Name3-[dihydroxy-tris[[dihydroxy-[3-(trimethylazaniumyl)propyl]silyl]oxy]silyloxysilyl]propyl-trimethylazanium
PubChem CID159273706
Molecular FormulaC24H68N4O12Si5+4
Molecular Weight745.25 g/mol
Exact Mass744.37
IUPAC Name3-[dihydroxy-tris[[dihydroxy-[3-(trimethylazaniumyl)propyl]silyl]oxy]silyloxysilyl]propyl-trimethylazanium
SMILESC[N+](C)(C)CCC[Si](O)(O)O[Si](O[Si](O)(O)CCC[N+](C)(C)C)(O[Si](O)(O)CCC[N+](C)(C)C)O[Si](O)(O)CCC[N+](C)(C)C
InChIInChI=1S/C24H68N4O12Si5/c1-25(2,3)17-13-21-41(29,30)37-45(38-42(31,32)22-14-18-26(4,5)6,39-43(33,34)23-15-19-27(7,8)9)40-44(35,36)24-16-20-28(10,11)12/h29-36H,13-24H2,1-12H3/q+4
InChIKeyZZZPEOOJTIJUSG-UHFFFAOYSA-N
XLogP-2.43
TPSA198.76 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500745.25
LogP ≤ 5-2.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

3-[dihydroxy-tris[[3-[ethyl(dimethyl)azaniumyl]propyl-dihydroxysilyl]oxy]silyloxysilyl]propyl-ethyl-dimethylazanium
CID 140847472
3-[dihydroxy-tris[[dihydroxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy]silyloxysilyl]propyl-ethyl-dimethylazanium
CID 169322511
trimethyl(3-trimethylsilylpropyl)azanium chloride
CID 87931852
methanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride
CID 156778994
3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl-trimethylazanium
CID 23523174
2-[hydroxy(dimethyl)silyl]ethyl-trimethylazanium
CID 171613891
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148
3-[methoxy(dipropyl)silyl]propyl-trimethylazanium
CID 154408712
3-[dibutoxy(butyl)silyl]propyl-trimethylazanium
CID 154408709
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353
tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
CID 173060606

Frequently Asked Questions

What is the IUPAC name of 3-[dihydroxy-tris[[dihydroxy-[3-(trimethylazaniumyl)propyl]silyl]oxy]silyloxysilyl]propyl-trimethylazanium?
The IUPAC name of 3-[dihydroxy-tris[[dihydroxy-[3-(trimethylazaniumyl)propyl]silyl]oxy]silyloxysilyl]propyl-trimethylazanium (CID 159273706) is 3-[dihydroxy-tris[[dihydroxy-[3-(trimethylazaniumyl)propyl]silyl]oxy]silyloxysilyl]propyl-trimethylazanium.
What is the SMILES notation for 3-[dihydroxy-tris[[dihydroxy-[3-(trimethylazaniumyl)propyl]silyl]oxy]silyloxysilyl]propyl-trimethylazanium?
The canonical SMILES for 3-[dihydroxy-tris[[dihydroxy-[3-(trimethylazaniumyl)propyl]silyl]oxy]silyloxysilyl]propyl-trimethylazanium is C[N+](C)(C)CCC[Si](O)(O)O[Si](O[Si](O)(O)CCC[N+](C)(C)C)(O[Si](O)(O)CCC[N+](C)(C)C)O[Si](O)(O)CCC[N+](C)(C)C.
What is the InChIKey of 3-[dihydroxy-tris[[dihydroxy-[3-(trimethylazaniumyl)propyl]silyl]oxy]silyloxysilyl]propyl-trimethylazanium?
The InChIKey is ZZZPEOOJTIJUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H68N4O12Si5/c1-25(2,3)17-13-21-41(29,30)37-45(38-42(31,32)22-14-18-26(4,5)6,39-43(33,34)23-15-19-27(7,8)9)40-44(35,36)24-16-20-28(10,11)12/h29-36H,13-24H2,1-12H3/q+4.
What are the key properties of 3-[dihydroxy-tris[[dihydroxy-[3-(trimethylazaniumyl)propyl]silyl]oxy]silyloxysilyl]propyl-trimethylazanium?
3-[dihydroxy-tris[[dihydroxy-[3-(trimethylazaniumyl)propyl]silyl]oxy]silyloxysilyl]propyl-trimethylazanium has a molecular weight of 745.25 g/mol, XLogP of -2.43, 24 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dihydroxy-tris[[dihydroxy-[3-(trimethylazaniumyl)propyl]silyl]oxy]silyloxysilyl]propyl-trimethylazanium is sourced from PubChem (CID 159273706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).