(2-ethoxy-2-oxoethyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium

C11H26N2O2+2 — CID 143427975

IUPAC(2-ethoxy-2-oxoethyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium
SMILESCCOC(=O)C[N+](C)(C)CC[N+](C)(C)C
InChIInChI=1S/C11H26N2O2/c1-7-15-11(14)10-13(5,6)9-8-12(2,3)4/h7-10H2,1-6H3/q+2
InChIKeyWBNNWACVQOHBAF-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.33
Rot. Bonds6

About (2-ethoxy-2-oxoethyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium

(2-ethoxy-2-oxoethyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium (PubChem CID 143427975) has the molecular formula C11H26N2O2+2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium
PubChem CID143427975
Molecular FormulaC11H26N2O2+2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name(2-ethoxy-2-oxoethyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium
SMILESCCOC(=O)C[N+](C)(C)CC[N+](C)(C)C
InChIInChI=1S/C11H26N2O2/c1-7-15-11(14)10-13(5,6)9-8-12(2,3)4/h7-10H2,1-6H3/q+2
InChIKeyWBNNWACVQOHBAF-UHFFFAOYSA-N
XLogP0.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.33
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-ethoxy-2-oxoethyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium?
The IUPAC name of (2-ethoxy-2-oxoethyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium (CID 143427975) is (2-ethoxy-2-oxoethyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium.
What is the SMILES notation for (2-ethoxy-2-oxoethyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium?
The canonical SMILES for (2-ethoxy-2-oxoethyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium is CCOC(=O)C[N+](C)(C)CC[N+](C)(C)C.
What is the InChIKey of (2-ethoxy-2-oxoethyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium?
The InChIKey is WBNNWACVQOHBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-7-15-11(14)10-13(5,6)9-8-12(2,3)4/h7-10H2,1-6H3/q+2.
What are the key properties of (2-ethoxy-2-oxoethyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium?
(2-ethoxy-2-oxoethyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium has a molecular weight of 218.34 g/mol, XLogP of 0.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl)-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium is sourced from PubChem (CID 143427975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).