butyl-(2-ethoxy-2-oxoethyl)-dimethylazanium

C10H22NO2+ — CID 91805186

IUPACbutyl-(2-ethoxy-2-oxoethyl)-dimethylazanium
SMILESCCCC[N+](C)(C)CC(=O)OCC
InChIInChI=1S/C10H22NO2/c1-5-7-8-11(3,4)9-10(12)13-6-2/h5-9H2,1-4H3/q+1
InChIKeyLDMVHQZUQSSFFI-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.43
Rot. Bonds6

About butyl-(2-ethoxy-2-oxoethyl)-dimethylazanium

butyl-(2-ethoxy-2-oxoethyl)-dimethylazanium (PubChem CID 91805186) has the molecular formula C10H22NO2+ and a molecular weight of 188.29 g/mol. Its IUPAC name is butyl-(2-ethoxy-2-oxoethyl)-dimethylazanium.

Molecular Properties

Compound Namebutyl-(2-ethoxy-2-oxoethyl)-dimethylazanium
PubChem CID91805186
Molecular FormulaC10H22NO2+
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Namebutyl-(2-ethoxy-2-oxoethyl)-dimethylazanium
SMILESCCCC[N+](C)(C)CC(=O)OCC
InChIInChI=1S/C10H22NO2/c1-5-7-8-11(3,4)9-10(12)13-6-2/h5-9H2,1-4H3/q+1
InChIKeyLDMVHQZUQSSFFI-UHFFFAOYSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.43
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 butyl-(2-ethoxy-2-oxoethyl)-dimethylazanium?
The IUPAC name of butyl-(2-ethoxy-2-oxoethyl)-dimethylazanium (CID 91805186) is butyl-(2-ethoxy-2-oxoethyl)-dimethylazanium.
What is the SMILES notation for butyl-(2-ethoxy-2-oxoethyl)-dimethylazanium?
The canonical SMILES for butyl-(2-ethoxy-2-oxoethyl)-dimethylazanium is CCCC[N+](C)(C)CC(=O)OCC.
What is the InChIKey of butyl-(2-ethoxy-2-oxoethyl)-dimethylazanium?
The InChIKey is LDMVHQZUQSSFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO2/c1-5-7-8-11(3,4)9-10(12)13-6-2/h5-9H2,1-4H3/q+1.
What are the key properties of butyl-(2-ethoxy-2-oxoethyl)-dimethylazanium?
butyl-(2-ethoxy-2-oxoethyl)-dimethylazanium has a molecular weight of 188.29 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2-ethoxy-2-oxoethyl)-dimethylazanium is sourced from PubChem (CID 91805186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).