2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide

C16H42I2N2O2Si2 — CID 3068447

IUPAC2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide
SMILESC[N+](C)(C)CCO[Si](C)(C)CC[Si](C)(C)OCC[N+](C)(C)C.[I-].[I-]
InChIInChI=1S/C16H42N2O2Si2.2HI/c1-17(2,3)11-13-19-21(7,8)15-16-22(9,10)20-14-12-18(4,5)6;;/h11-16H2,1-10H3;2*1H/q+2;;/p-2
InChIKeyLGXNGLLWAPIMFE-UHFFFAOYSA-L
MW604.50 g/mol
LogP-3.15
Rot. Bonds11

About 2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide

2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide (PubChem CID 3068447) has the molecular formula C16H42I2N2O2Si2 and a molecular weight of 604.50 g/mol. Its IUPAC name is 2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide.

Molecular Properties

Compound Name2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide
PubChem CID3068447
Molecular FormulaC16H42I2N2O2Si2
Molecular Weight604.50 g/mol
Exact Mass604.09
IUPAC Name2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide
SMILESC[N+](C)(C)CCO[Si](C)(C)CC[Si](C)(C)OCC[N+](C)(C)C.[I-].[I-]
InChIInChI=1S/C16H42N2O2Si2.2HI/c1-17(2,3)11-13-19-21(7,8)15-16-22(9,10)20-14-12-18(4,5)6;;/h11-16H2,1-10H3;2*1H/q+2;;/p-2
InChIKeyLGXNGLLWAPIMFE-UHFFFAOYSA-L
XLogP-3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.50
LogP ≤ 5-3.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide?
The IUPAC name of 2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide (CID 3068447) is 2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide.
What is the SMILES notation for 2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide?
The canonical SMILES for 2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide is C[N+](C)(C)CCO[Si](C)(C)CC[Si](C)(C)OCC[N+](C)(C)C.[I-].[I-].
What is the InChIKey of 2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide?
The InChIKey is LGXNGLLWAPIMFE-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H42N2O2Si2.2HI/c1-17(2,3)11-13-19-21(7,8)15-16-22(9,10)20-14-12-18(4,5)6;;/h11-16H2,1-10H3;2*1H/q+2;;/p-2.
What are the key properties of 2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide?
2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide has a molecular weight of 604.50 g/mol, XLogP of -3.15, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide is sourced from PubChem (CID 3068447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).