2-acetyloxyethyl(triethyl)azanium bromide

C10H22BrNO2 — CID 24833373

IUPAC2-acetyloxyethyl(triethyl)azanium bromide
SMILESCC[N+](CC)(CC)CCOC(C)=O.[Br-]
InChIInChI=1S/C10H22NO2.BrH/c1-5-11(6-2,7-3)8-9-13-10(4)12;/h5-9H2,1-4H3;1H/q+1;/p-1
InChIKeyXNIMVVMXGADASM-UHFFFAOYSA-M
MW268.19 g/mol
LogP-1.57
Rot. Bonds6

About 2-acetyloxyethyl(triethyl)azanium bromide

2-acetyloxyethyl(triethyl)azanium bromide (PubChem CID 24833373) has the molecular formula C10H22BrNO2 and a molecular weight of 268.19 g/mol. Its IUPAC name is 2-acetyloxyethyl(triethyl)azanium bromide.

Molecular Properties

Compound Name2-acetyloxyethyl(triethyl)azanium bromide
PubChem CID24833373
Molecular FormulaC10H22BrNO2
Molecular Weight268.19 g/mol
Exact Mass267.08
IUPAC Name2-acetyloxyethyl(triethyl)azanium bromide
SMILESCC[N+](CC)(CC)CCOC(C)=O.[Br-]
InChIInChI=1S/C10H22NO2.BrH/c1-5-11(6-2,7-3)8-9-13-10(4)12;/h5-9H2,1-4H3;1H/q+1;/p-1
InChIKeyXNIMVVMXGADASM-UHFFFAOYSA-M
XLogP-1.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 5-1.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl(triethyl)azanium bromide?
The IUPAC name of 2-acetyloxyethyl(triethyl)azanium bromide (CID 24833373) is 2-acetyloxyethyl(triethyl)azanium bromide.
What is the SMILES notation for 2-acetyloxyethyl(triethyl)azanium bromide?
The canonical SMILES for 2-acetyloxyethyl(triethyl)azanium bromide is CC[N+](CC)(CC)CCOC(C)=O.[Br-].
What is the InChIKey of 2-acetyloxyethyl(triethyl)azanium bromide?
The InChIKey is XNIMVVMXGADASM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22NO2.BrH/c1-5-11(6-2,7-3)8-9-13-10(4)12;/h5-9H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 2-acetyloxyethyl(triethyl)azanium bromide?
2-acetyloxyethyl(triethyl)azanium bromide has a molecular weight of 268.19 g/mol, XLogP of -1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl(triethyl)azanium bromide is sourced from PubChem (CID 24833373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).