3-[[dimethyl-[3-[tris(2-methoxyethyl)azaniumyl]propyl]silyl]oxy-dimethylsilyl]propyl-tris(2-methoxyethyl)azanium

C28H66N2O7Si2+2 — CID 59345956

IUPAC3-[[dimethyl-[3-[tris(2-methoxyethyl)azaniumyl]propyl]silyl]oxy-dimethylsilyl]propyl-tris(2-methoxyethyl)azanium
SMILESCOCC[N+](CCC[Si](C)(C)O[Si](C)(C)CCC[N+](CCOC)(CCOC)CCOC)(CCOC)CCOC
InChIInChI=1S/C28H66N2O7Si2/c1-31-21-15-29(16-22-32-2,17-23-33-3)13-11-27-38(7,8)37-39(9,10)28-12-14-30(18-24-34-4,19-25-35-5)20-26-36-6/h11-28H2,1-10H3/q+2
InChIKeyIYOBOFDDNNEHOC-UHFFFAOYSA-N
MW599.02 g/mol
LogP3.71
Rot. Bonds28

About 3-[[dimethyl-[3-[tris(2-methoxyethyl)azaniumyl]propyl]silyl]oxy-dimethylsilyl]propyl-tris(2-methoxyethyl)azanium

3-[[dimethyl-[3-[tris(2-methoxyethyl)azaniumyl]propyl]silyl]oxy-dimethylsilyl]propyl-tris(2-methoxyethyl)azanium (PubChem CID 59345956) has the molecular formula C28H66N2O7Si2+2 and a molecular weight of 599.02 g/mol. Its IUPAC name is 3-[[dimethyl-[3-[tris(2-methoxyethyl)azaniumyl]propyl]silyl]oxy-dimethylsilyl]propyl-tris(2-methoxyethyl)azanium.

Molecular Properties

Compound Name3-[[dimethyl-[3-[tris(2-methoxyethyl)azaniumyl]propyl]silyl]oxy-dimethylsilyl]propyl-tris(2-methoxyethyl)azanium
PubChem CID59345956
Molecular FormulaC28H66N2O7Si2+2
Molecular Weight599.02 g/mol
Exact Mass598.44
IUPAC Name3-[[dimethyl-[3-[tris(2-methoxyethyl)azaniumyl]propyl]silyl]oxy-dimethylsilyl]propyl-tris(2-methoxyethyl)azanium
SMILESCOCC[N+](CCC[Si](C)(C)O[Si](C)(C)CCC[N+](CCOC)(CCOC)CCOC)(CCOC)CCOC
InChIInChI=1S/C28H66N2O7Si2/c1-31-21-15-29(16-22-32-2,17-23-33-3)13-11-27-38(7,8)37-39(9,10)28-12-14-30(18-24-34-4,19-25-35-5)20-26-36-6/h11-28H2,1-10H3/q+2
InChIKeyIYOBOFDDNNEHOC-UHFFFAOYSA-N
XLogP3.71
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds28
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.02
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[dimethyl-[3-[tris(2-methoxyethyl)azaniumyl]propyl]silyl]oxy-dimethylsilyl]propyl-tris(2-methoxyethyl)azanium?
The IUPAC name of 3-[[dimethyl-[3-[tris(2-methoxyethyl)azaniumyl]propyl]silyl]oxy-dimethylsilyl]propyl-tris(2-methoxyethyl)azanium (CID 59345956) is 3-[[dimethyl-[3-[tris(2-methoxyethyl)azaniumyl]propyl]silyl]oxy-dimethylsilyl]propyl-tris(2-methoxyethyl)azanium.
What is the SMILES notation for 3-[[dimethyl-[3-[tris(2-methoxyethyl)azaniumyl]propyl]silyl]oxy-dimethylsilyl]propyl-tris(2-methoxyethyl)azanium?
The canonical SMILES for 3-[[dimethyl-[3-[tris(2-methoxyethyl)azaniumyl]propyl]silyl]oxy-dimethylsilyl]propyl-tris(2-methoxyethyl)azanium is COCC[N+](CCC[Si](C)(C)O[Si](C)(C)CCC[N+](CCOC)(CCOC)CCOC)(CCOC)CCOC.
What is the InChIKey of 3-[[dimethyl-[3-[tris(2-methoxyethyl)azaniumyl]propyl]silyl]oxy-dimethylsilyl]propyl-tris(2-methoxyethyl)azanium?
The InChIKey is IYOBOFDDNNEHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H66N2O7Si2/c1-31-21-15-29(16-22-32-2,17-23-33-3)13-11-27-38(7,8)37-39(9,10)28-12-14-30(18-24-34-4,19-25-35-5)20-26-36-6/h11-28H2,1-10H3/q+2.
What are the key properties of 3-[[dimethyl-[3-[tris(2-methoxyethyl)azaniumyl]propyl]silyl]oxy-dimethylsilyl]propyl-tris(2-methoxyethyl)azanium?
3-[[dimethyl-[3-[tris(2-methoxyethyl)azaniumyl]propyl]silyl]oxy-dimethylsilyl]propyl-tris(2-methoxyethyl)azanium has a molecular weight of 599.02 g/mol, XLogP of 3.71, 28 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[dimethyl-[3-[tris(2-methoxyethyl)azaniumyl]propyl]silyl]oxy-dimethylsilyl]propyl-tris(2-methoxyethyl)azanium is sourced from PubChem (CID 59345956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).