2-acetyloxyethyl-[3-[diethyl(methyl)silyl]propyl]-dimethylazanium

C14H32NO2Si+ — CID 3069368

IUPAC2-acetyloxyethyl-[3-[diethyl(methyl)silyl]propyl]-dimethylazanium
SMILESCC[Si](C)(CC)CCC[N+](C)(C)CCOC(C)=O
InChIInChI=1S/C14H32NO2Si/c1-7-18(6,8-2)13-9-10-15(4,5)11-12-17-14(3)16/h7-13H2,1-6H3/q+1
InChIKeyLKOACZCKZHEAHB-UHFFFAOYSA-N
MW274.50 g/mol
LogP3.13
Rot. Bonds9

About 2-acetyloxyethyl-[3-[diethyl(methyl)silyl]propyl]-dimethylazanium

2-acetyloxyethyl-[3-[diethyl(methyl)silyl]propyl]-dimethylazanium (PubChem CID 3069368) has the molecular formula C14H32NO2Si+ and a molecular weight of 274.50 g/mol. Its IUPAC name is 2-acetyloxyethyl-[3-[diethyl(methyl)silyl]propyl]-dimethylazanium.

Molecular Properties

Compound Name2-acetyloxyethyl-[3-[diethyl(methyl)silyl]propyl]-dimethylazanium
PubChem CID3069368
Molecular FormulaC14H32NO2Si+
Molecular Weight274.50 g/mol
Exact Mass274.22
IUPAC Name2-acetyloxyethyl-[3-[diethyl(methyl)silyl]propyl]-dimethylazanium
SMILESCC[Si](C)(CC)CCC[N+](C)(C)CCOC(C)=O
InChIInChI=1S/C14H32NO2Si/c1-7-18(6,8-2)13-9-10-15(4,5)11-12-17-14(3)16/h7-13H2,1-6H3/q+1
InChIKeyLKOACZCKZHEAHB-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-acetyloxyethyl-[3-[diethyl(methyl)silyl]propyl]-dimethylazanium?
The IUPAC name of 2-acetyloxyethyl-[3-[diethyl(methyl)silyl]propyl]-dimethylazanium (CID 3069368) is 2-acetyloxyethyl-[3-[diethyl(methyl)silyl]propyl]-dimethylazanium.
What is the SMILES notation for 2-acetyloxyethyl-[3-[diethyl(methyl)silyl]propyl]-dimethylazanium?
The canonical SMILES for 2-acetyloxyethyl-[3-[diethyl(methyl)silyl]propyl]-dimethylazanium is CC[Si](C)(CC)CCC[N+](C)(C)CCOC(C)=O.
What is the InChIKey of 2-acetyloxyethyl-[3-[diethyl(methyl)silyl]propyl]-dimethylazanium?
The InChIKey is LKOACZCKZHEAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO2Si/c1-7-18(6,8-2)13-9-10-15(4,5)11-12-17-14(3)16/h7-13H2,1-6H3/q+1.
What are the key properties of 2-acetyloxyethyl-[3-[diethyl(methyl)silyl]propyl]-dimethylazanium?
2-acetyloxyethyl-[3-[diethyl(methyl)silyl]propyl]-dimethylazanium has a molecular weight of 274.50 g/mol, XLogP of 3.13, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl-[3-[diethyl(methyl)silyl]propyl]-dimethylazanium is sourced from PubChem (CID 3069368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).