2-[bis[2-(trimethylazaniumyl)ethoxy]boranyloxy]ethyl-trimethylazanium

C15H39BN3O3+3 — CID 57049862

IUPAC2-[bis[2-(trimethylazaniumyl)ethoxy]boranyloxy]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCOB(OCC[N+](C)(C)C)OCC[N+](C)(C)C
InChIInChI=1S/C15H39BN3O3/c1-17(2,3)10-13-20-16(21-14-11-18(4,5)6)22-15-12-19(7,8)9/h10-15H2,1-9H3/q+3
InChIKeyUGZFUGZJZNCADE-UHFFFAOYSA-N
MW320.31 g/mol
LogP0.14
Rot. Bonds12

About 2-[bis[2-(trimethylazaniumyl)ethoxy]boranyloxy]ethyl-trimethylazanium

2-[bis[2-(trimethylazaniumyl)ethoxy]boranyloxy]ethyl-trimethylazanium (PubChem CID 57049862) has the molecular formula C15H39BN3O3+3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-[bis[2-(trimethylazaniumyl)ethoxy]boranyloxy]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[bis[2-(trimethylazaniumyl)ethoxy]boranyloxy]ethyl-trimethylazanium
PubChem CID57049862
Molecular FormulaC15H39BN3O3+3
Molecular Weight320.31 g/mol
Exact Mass320.31
IUPAC Name2-[bis[2-(trimethylazaniumyl)ethoxy]boranyloxy]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCOB(OCC[N+](C)(C)C)OCC[N+](C)(C)C
InChIInChI=1S/C15H39BN3O3/c1-17(2,3)10-13-20-16(21-14-11-18(4,5)6)22-15-12-19(7,8)9/h10-15H2,1-9H3/q+3
InChIKeyUGZFUGZJZNCADE-UHFFFAOYSA-N
XLogP0.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroperoxyethyl(trimethyl)azanium;sulfane
CID 174916235
2-methoxyethyl(trimethyl)azanium chloride
CID 23352174
trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride
CID 174841287
2-aminooxyethyl(trimethyl)azanium iodide
CID 70673690
trimethyl-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium
CID 135354704
2-methoxyethyl(trimethyl)azanium tetrafluoroborate
CID 87222095
2-ethoxyethyl(trimethyl)azanium;fluoromethane
CID 174704150
trimethyl-[2-(trimethylazaniumyl)ethyl]azanium dibromide
CID 71381310
2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride
CID 166692262
tris(4-methoxybutyl) borate
CID 59366393
barium(2+);2-carbamoyloxyethyl(trimethyl)azanium
CID 88516621
2-[2-[dimethyl-[2-(trimethylazaniumyl)ethoxy]silyl]ethyl-dimethylsilyl]oxyethyl-trimethylazanium diiodide
CID 3068447

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-(trimethylazaniumyl)ethoxy]boranyloxy]ethyl-trimethylazanium?
The IUPAC name of 2-[bis[2-(trimethylazaniumyl)ethoxy]boranyloxy]ethyl-trimethylazanium (CID 57049862) is 2-[bis[2-(trimethylazaniumyl)ethoxy]boranyloxy]ethyl-trimethylazanium.
What is the SMILES notation for 2-[bis[2-(trimethylazaniumyl)ethoxy]boranyloxy]ethyl-trimethylazanium?
The canonical SMILES for 2-[bis[2-(trimethylazaniumyl)ethoxy]boranyloxy]ethyl-trimethylazanium is C[N+](C)(C)CCOB(OCC[N+](C)(C)C)OCC[N+](C)(C)C.
What is the InChIKey of 2-[bis[2-(trimethylazaniumyl)ethoxy]boranyloxy]ethyl-trimethylazanium?
The InChIKey is UGZFUGZJZNCADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H39BN3O3/c1-17(2,3)10-13-20-16(21-14-11-18(4,5)6)22-15-12-19(7,8)9/h10-15H2,1-9H3/q+3.
What are the key properties of 2-[bis[2-(trimethylazaniumyl)ethoxy]boranyloxy]ethyl-trimethylazanium?
2-[bis[2-(trimethylazaniumyl)ethoxy]boranyloxy]ethyl-trimethylazanium has a molecular weight of 320.31 g/mol, XLogP of 0.14, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-(trimethylazaniumyl)ethoxy]boranyloxy]ethyl-trimethylazanium is sourced from PubChem (CID 57049862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).