dioxido(phenoxy)borane;bis(tetramethylazanium)

C14H29BN2O3 — CID 70151362

IUPACdioxido(phenoxy)borane;bis(tetramethylazanium)
SMILESC[N+](C)(C)C.C[N+](C)(C)C.[O-]B([O-])Oc1ccccc1
InChIInChI=1S/C6H5BO3.2C4H12N/c8-7(9)10-6-4-2-1-3-5-6;2*1-5(2,3)4/h1-5H;2*1-4H3/q-2;2*+1
InChIKeyHNBNDTZFLJMXOM-UHFFFAOYSA-N
MW284.21 g/mol
LogP-0.58
Rot. Bonds2

About dioxido(phenoxy)borane;bis(tetramethylazanium)

dioxido(phenoxy)borane;bis(tetramethylazanium) (PubChem CID 70151362) has the molecular formula C14H29BN2O3 and a molecular weight of 284.21 g/mol. Its IUPAC name is dioxido(phenoxy)borane;bis(tetramethylazanium).

Molecular Properties

Compound Namedioxido(phenoxy)borane;bis(tetramethylazanium)
PubChem CID70151362
Molecular FormulaC14H29BN2O3
Molecular Weight284.21 g/mol
Exact Mass284.23
IUPAC Namedioxido(phenoxy)borane;bis(tetramethylazanium)
SMILESC[N+](C)(C)C.C[N+](C)(C)C.[O-]B([O-])Oc1ccccc1
InChIInChI=1S/C6H5BO3.2C4H12N/c8-7(9)10-6-4-2-1-3-5-6;2*1-5(2,3)4/h1-5H;2*1-4H3/q-2;2*+1
InChIKeyHNBNDTZFLJMXOM-UHFFFAOYSA-N
XLogP-0.58
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 5-0.58
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

CID 70442081
CID 70442081
CID 69028667
CID 69028667
dipotassium;(4-methylphenoxy)-dioxidoborane
CID 159840403
azane;diphenoxyborinic acid
CID 172846440
fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium)
CID 66672523
phenoxybismuthane
CID 172997794
N-methyl-N-[phenoxy(phenyl)boranyl]oxymethanamine
CID 156756933
diphenyl carbonate;ethane;molecular iodine
CID 159087497
trimethyl-(4-phenoxyphenyl)azanium
CID 122519825
aminooxy(phenoxy)borinic acid
CID 19081591
N,N-diethylethanamine;phenoxyboronic acid
CID 157075619
anisole;trifluoroborane
CID 174665057

Frequently Asked Questions

What is the IUPAC name of dioxido(phenoxy)borane;bis(tetramethylazanium)?
The IUPAC name of dioxido(phenoxy)borane;bis(tetramethylazanium) (CID 70151362) is dioxido(phenoxy)borane;bis(tetramethylazanium).
What is the SMILES notation for dioxido(phenoxy)borane;bis(tetramethylazanium)?
The canonical SMILES for dioxido(phenoxy)borane;bis(tetramethylazanium) is C[N+](C)(C)C.C[N+](C)(C)C.[O-]B([O-])Oc1ccccc1.
What is the InChIKey of dioxido(phenoxy)borane;bis(tetramethylazanium)?
The InChIKey is HNBNDTZFLJMXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BO3.2C4H12N/c8-7(9)10-6-4-2-1-3-5-6;2*1-5(2,3)4/h1-5H;2*1-4H3/q-2;2*+1.
What are the key properties of dioxido(phenoxy)borane;bis(tetramethylazanium)?
dioxido(phenoxy)borane;bis(tetramethylazanium) has a molecular weight of 284.21 g/mol, XLogP of -0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido(phenoxy)borane;bis(tetramethylazanium) is sourced from PubChem (CID 70151362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).