2-[2-(2-butoxyethoxy)ethoxy]ethyl-methyl-oxoazanium

C11H24NO4+ — CID 91462599

IUPAC2-[2-(2-butoxyethoxy)ethoxy]ethyl-methyl-oxoazanium
SMILESCCCCOCCOCCOCC[N+](C)=O
InChIInChI=1S/C11H24NO4/c1-3-4-6-14-8-10-16-11-9-15-7-5-12(2)13/h3-11H2,1-2H3/q+1
InChIKeyKRYVATWMNXANPT-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.25
Rot. Bonds12

About 2-[2-(2-butoxyethoxy)ethoxy]ethyl-methyl-oxoazanium

2-[2-(2-butoxyethoxy)ethoxy]ethyl-methyl-oxoazanium (PubChem CID 91462599) has the molecular formula C11H24NO4+ and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethoxy]ethyl-methyl-oxoazanium.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethoxy]ethyl-methyl-oxoazanium
PubChem CID91462599
Molecular FormulaC11H24NO4+
Molecular Weight234.32 g/mol
Exact Mass234.17
IUPAC Name2-[2-(2-butoxyethoxy)ethoxy]ethyl-methyl-oxoazanium
SMILESCCCCOCCOCCOCC[N+](C)=O
InChIInChI=1S/C11H24NO4/c1-3-4-6-14-8-10-16-11-9-15-7-5-12(2)13/h3-11H2,1-2H3/q+1
InChIKeyKRYVATWMNXANPT-UHFFFAOYSA-N
XLogP1.25
TPSA47.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethyl-methyl-oxoazanium?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethoxy]ethyl-methyl-oxoazanium (CID 91462599) is 2-[2-(2-butoxyethoxy)ethoxy]ethyl-methyl-oxoazanium.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethoxy]ethyl-methyl-oxoazanium?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethoxy]ethyl-methyl-oxoazanium is CCCCOCCOCCOCC[N+](C)=O.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethoxy]ethyl-methyl-oxoazanium?
The InChIKey is KRYVATWMNXANPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO4/c1-3-4-6-14-8-10-16-11-9-15-7-5-12(2)13/h3-11H2,1-2H3/q+1.
What are the key properties of 2-[2-(2-butoxyethoxy)ethoxy]ethyl-methyl-oxoazanium?
2-[2-(2-butoxyethoxy)ethoxy]ethyl-methyl-oxoazanium has a molecular weight of 234.32 g/mol, XLogP of 1.25, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethoxy]ethyl-methyl-oxoazanium is sourced from PubChem (CID 91462599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).