dioxido(phenyl)borane;bis(tetraethylazanium)

C22H45BN2O2 — CID 141151570

IUPACdioxido(phenyl)borane;bis(tetraethylazanium)
SMILESCC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.[O-]B([O-])c1ccccc1
InChIInChI=1S/2C8H20N.C6H5BO2/c2*1-5-9(6-2,7-3)8-4;8-7(9)6-4-2-1-3-5-6/h2*5-8H2,1-4H3;1-5H/q2*+1;-2
InChIKeyCYCUWOAACAZFCN-UHFFFAOYSA-N
MW380.43 g/mol
LogP1.87
Rot. Bonds9

About dioxido(phenyl)borane;bis(tetraethylazanium)

dioxido(phenyl)borane;bis(tetraethylazanium) (PubChem CID 141151570) has the molecular formula C22H45BN2O2 and a molecular weight of 380.43 g/mol. Its IUPAC name is dioxido(phenyl)borane;bis(tetraethylazanium).

Molecular Properties

Compound Namedioxido(phenyl)borane;bis(tetraethylazanium)
PubChem CID141151570
Molecular FormulaC22H45BN2O2
Molecular Weight380.43 g/mol
Exact Mass380.36
IUPAC Namedioxido(phenyl)borane;bis(tetraethylazanium)
SMILESCC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.[O-]B([O-])c1ccccc1
InChIInChI=1S/2C8H20N.C6H5BO2/c2*1-5-9(6-2,7-3)8-4;8-7(9)6-4-2-1-3-5-6/h2*5-8H2,1-4H3;1-5H/q2*+1;-2
InChIKeyCYCUWOAACAZFCN-UHFFFAOYSA-N
XLogP1.87
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

octapotassium;tetrakis(dioxido(phenyl)borane)
CID 141040714
octasodium;tetrakis(dioxido(phenyl)borane)
CID 140976436
tetrakis(dioxido(phenyl)borane);octakis(trimethylazanium)
CID 140993389
bis(dimethyl(phenyl)azanium);dioxido(phenyl)borane
CID 141011580
dioxido(4,4,4-triphenylbutyl)borane;bis(tetraethylazanium)
CID 156778480
tris(benzyl(triethyl)azanium);tribromide
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azane;benzyl(triethyl)azanium;hydrofluoride
CID 174537374
dioxido(1,1,2-triphenylbutoxy)borane;bis(tetraethylazanium)
CID 67933329
benzyl(triethyl)azanium;hydrogen carbonate
CID 29687
azane;benzyl(triethyl)azanium;bromide;dihydrobromide
CID 172701063
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CID 140984221
benzenesulfonate;ethyl(trimethyl)azanium
CID 21449652

Frequently Asked Questions

What is the IUPAC name of dioxido(phenyl)borane;bis(tetraethylazanium)?
The IUPAC name of dioxido(phenyl)borane;bis(tetraethylazanium) (CID 141151570) is dioxido(phenyl)borane;bis(tetraethylazanium).
What is the SMILES notation for dioxido(phenyl)borane;bis(tetraethylazanium)?
The canonical SMILES for dioxido(phenyl)borane;bis(tetraethylazanium) is CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.[O-]B([O-])c1ccccc1.
What is the InChIKey of dioxido(phenyl)borane;bis(tetraethylazanium)?
The InChIKey is CYCUWOAACAZFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H20N.C6H5BO2/c2*1-5-9(6-2,7-3)8-4;8-7(9)6-4-2-1-3-5-6/h2*5-8H2,1-4H3;1-5H/q2*+1;-2.
What are the key properties of dioxido(phenyl)borane;bis(tetraethylazanium)?
dioxido(phenyl)borane;bis(tetraethylazanium) has a molecular weight of 380.43 g/mol, XLogP of 1.87, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido(phenyl)borane;bis(tetraethylazanium) is sourced from PubChem (CID 141151570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).