2-(2-ethylbut-2-enoyloxy)ethyl-trimethylazanium

C11H22NO2+ — CID 523165

IUPAC2-(2-ethylbut-2-enoyloxy)ethyl-trimethylazanium
SMILESCC=C(CC)C(=O)OCC[N+](C)(C)C
InChIInChI=1S/C11H22NO2/c1-6-10(7-2)11(13)14-9-8-12(3,4)5/h6H,7-9H2,1-5H3/q+1
InChIKeyVXRGOWHDBNQWDD-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.59
Rot. Bonds5

About 2-(2-ethylbut-2-enoyloxy)ethyl-trimethylazanium

2-(2-ethylbut-2-enoyloxy)ethyl-trimethylazanium (PubChem CID 523165) has the molecular formula C11H22NO2+ and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-(2-ethylbut-2-enoyloxy)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(2-ethylbut-2-enoyloxy)ethyl-trimethylazanium
PubChem CID523165
Molecular FormulaC11H22NO2+
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Name2-(2-ethylbut-2-enoyloxy)ethyl-trimethylazanium
SMILESCC=C(CC)C(=O)OCC[N+](C)(C)C
InChIInChI=1S/C11H22NO2/c1-6-10(7-2)11(13)14-9-8-12(3,4)5/h6H,7-9H2,1-5H3/q+1
InChIKeyVXRGOWHDBNQWDD-UHFFFAOYSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.59
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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Related Compounds

decyl (E)-2-ethylbut-2-enoate
CID 164546681
2-isocyanatoethyl (E)-2-ethylbut-2-enoate
CID 87135102
butyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 87942393
CID 158732412
CID 158732412
chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 19391993
3-(2-hydroxybut-2-enoyloxy)propyl-trimethylazanium bromide
CID 173034903
2-(3-butoxy-2-methyl-3-oxoprop-1-enoxy)ethyl-trimethylazanium
CID 175345950
trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium chloride
CID 139213202
azane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride
CID 174427776
[(E)-2-methoxycarbonylbut-2-enyl] (E)-2-ethylbut-2-enoate
CID 59775571
2-acetyloxyethyl(trimethyl)azanium bromide
CID 547020
barium(2+);2-carbamoyloxyethyl(trimethyl)azanium
CID 88516621

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbut-2-enoyloxy)ethyl-trimethylazanium?
The IUPAC name of 2-(2-ethylbut-2-enoyloxy)ethyl-trimethylazanium (CID 523165) is 2-(2-ethylbut-2-enoyloxy)ethyl-trimethylazanium.
What is the SMILES notation for 2-(2-ethylbut-2-enoyloxy)ethyl-trimethylazanium?
The canonical SMILES for 2-(2-ethylbut-2-enoyloxy)ethyl-trimethylazanium is CC=C(CC)C(=O)OCC[N+](C)(C)C.
What is the InChIKey of 2-(2-ethylbut-2-enoyloxy)ethyl-trimethylazanium?
The InChIKey is VXRGOWHDBNQWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO2/c1-6-10(7-2)11(13)14-9-8-12(3,4)5/h6H,7-9H2,1-5H3/q+1.
What are the key properties of 2-(2-ethylbut-2-enoyloxy)ethyl-trimethylazanium?
2-(2-ethylbut-2-enoyloxy)ethyl-trimethylazanium has a molecular weight of 200.30 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbut-2-enoyloxy)ethyl-trimethylazanium is sourced from PubChem (CID 523165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).