ethyl-[3-[[[3-[ethyl-bis(2-methoxyethyl)azaniumyl]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-bis(2-methoxyethyl)azanium

C28H66N2O5Si2+2 — CID 59345945

IUPACethyl-[3-[[[3-[ethyl-bis(2-methoxyethyl)azaniumyl]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-bis(2-methoxyethyl)azanium
SMILESCC[N+](CCOC)(CCOC)CC(C)C[Si](C)(C)O[Si](C)(C)CC(C)C[N+](CC)(CCOC)CCOC
InChIInChI=1S/C28H66N2O5Si2/c1-13-29(15-19-31-5,16-20-32-6)23-27(3)25-36(9,10)35-37(11,12)26-28(4)24-30(14-2,17-21-33-7)18-22-34-8/h27-28H,13-26H2,1-12H3/q+2
InChIKeyZGVYFCYSKFYFIW-UHFFFAOYSA-N
MW567.02 g/mol
LogP4.94
Rot. Bonds24

About ethyl-[3-[[[3-[ethyl-bis(2-methoxyethyl)azaniumyl]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-bis(2-methoxyethyl)azanium

ethyl-[3-[[[3-[ethyl-bis(2-methoxyethyl)azaniumyl]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-bis(2-methoxyethyl)azanium (PubChem CID 59345945) has the molecular formula C28H66N2O5Si2+2 and a molecular weight of 567.02 g/mol. Its IUPAC name is ethyl-[3-[[[3-[ethyl-bis(2-methoxyethyl)azaniumyl]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-bis(2-methoxyethyl)azanium.

Molecular Properties

Compound Nameethyl-[3-[[[3-[ethyl-bis(2-methoxyethyl)azaniumyl]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-bis(2-methoxyethyl)azanium
PubChem CID59345945
Molecular FormulaC28H66N2O5Si2+2
Molecular Weight567.02 g/mol
Exact Mass566.45
IUPAC Nameethyl-[3-[[[3-[ethyl-bis(2-methoxyethyl)azaniumyl]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-bis(2-methoxyethyl)azanium
SMILESCC[N+](CCOC)(CCOC)CC(C)C[Si](C)(C)O[Si](C)(C)CC(C)C[N+](CC)(CCOC)CCOC
InChIInChI=1S/C28H66N2O5Si2/c1-13-29(15-19-31-5,16-20-32-6)23-27(3)25-36(9,10)35-37(11,12)26-28(4)24-30(14-2,17-21-33-7)18-22-34-8/h27-28H,13-26H2,1-12H3/q+2
InChIKeyZGVYFCYSKFYFIW-UHFFFAOYSA-N
XLogP4.94
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.02
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 ethyl-[3-[[[3-[ethyl-bis(2-methoxyethyl)azaniumyl]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-bis(2-methoxyethyl)azanium?
The IUPAC name of ethyl-[3-[[[3-[ethyl-bis(2-methoxyethyl)azaniumyl]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-bis(2-methoxyethyl)azanium (CID 59345945) is ethyl-[3-[[[3-[ethyl-bis(2-methoxyethyl)azaniumyl]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-bis(2-methoxyethyl)azanium.
What is the SMILES notation for ethyl-[3-[[[3-[ethyl-bis(2-methoxyethyl)azaniumyl]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-bis(2-methoxyethyl)azanium?
The canonical SMILES for ethyl-[3-[[[3-[ethyl-bis(2-methoxyethyl)azaniumyl]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-bis(2-methoxyethyl)azanium is CC[N+](CCOC)(CCOC)CC(C)C[Si](C)(C)O[Si](C)(C)CC(C)C[N+](CC)(CCOC)CCOC.
What is the InChIKey of ethyl-[3-[[[3-[ethyl-bis(2-methoxyethyl)azaniumyl]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-bis(2-methoxyethyl)azanium?
The InChIKey is ZGVYFCYSKFYFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H66N2O5Si2/c1-13-29(15-19-31-5,16-20-32-6)23-27(3)25-36(9,10)35-37(11,12)26-28(4)24-30(14-2,17-21-33-7)18-22-34-8/h27-28H,13-26H2,1-12H3/q+2.
What are the key properties of ethyl-[3-[[[3-[ethyl-bis(2-methoxyethyl)azaniumyl]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-bis(2-methoxyethyl)azanium?
ethyl-[3-[[[3-[ethyl-bis(2-methoxyethyl)azaniumyl]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-bis(2-methoxyethyl)azanium has a molecular weight of 567.02 g/mol, XLogP of 4.94, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[3-[[[3-[ethyl-bis(2-methoxyethyl)azaniumyl]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-bis(2-methoxyethyl)azanium is sourced from PubChem (CID 59345945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).