triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide

C12H24BrNO2 — CID 18982649

IUPACtriethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
SMILESC=C(C)C(=O)OCC[N+](CC)(CC)CC.[Br-]
InChIInChI=1S/C12H24NO2.BrH/c1-6-13(7-2,8-3)9-10-15-12(14)11(4)5;/h4,6-10H2,1-3,5H3;1H/q+1;/p-1
InChIKeyUWEUSLOBLWDWOU-UHFFFAOYSA-M
MW294.23 g/mol
LogP-1.01
Rot. Bonds7

About triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide

triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide (PubChem CID 18982649) has the molecular formula C12H24BrNO2 and a molecular weight of 294.23 g/mol. Its IUPAC name is triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide.

Molecular Properties

Compound Nametriethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
PubChem CID18982649
Molecular FormulaC12H24BrNO2
Molecular Weight294.23 g/mol
Exact Mass293.10
IUPAC Nametriethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
SMILESC=C(C)C(=O)OCC[N+](CC)(CC)CC.[Br-]
InChIInChI=1S/C12H24NO2.BrH/c1-6-13(7-2,8-3)9-10-15-12(14)11(4)5;/h4,6-10H2,1-3,5H3;1H/q+1;/p-1
InChIKeyUWEUSLOBLWDWOU-UHFFFAOYSA-M
XLogP-1.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide?
The IUPAC name of triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide (CID 18982649) is triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide.
What is the SMILES notation for triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide?
The canonical SMILES for triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide is C=C(C)C(=O)OCC[N+](CC)(CC)CC.[Br-].
What is the InChIKey of triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide?
The InChIKey is UWEUSLOBLWDWOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24NO2.BrH/c1-6-13(7-2,8-3)9-10-15-12(14)11(4)5;/h4,6-10H2,1-3,5H3;1H/q+1;/p-1.
What are the key properties of triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide?
triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide has a molecular weight of 294.23 g/mol, XLogP of -1.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide is sourced from PubChem (CID 18982649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).