boranuide;bis(tetramethylazanium);acetate

C10H31BN2O2 — CID 173250936

IUPACboranuide;bis(tetramethylazanium);acetate
SMILESCC(=O)[O-].C[N+](C)(C)C.C[N+](C)(C)C.[BH4-]
InChIInChI=1S/2C4H12N.C2H4O2.BH4/c2*1-5(2,3)4;1-2(3)4;/h2*1-4H3;1H3,(H,3,4);1H4/q2*+1;;-1/p-1
InChIKeyHDXOCDSFWUVMKQ-UHFFFAOYSA-M
MW222.18 g/mol
LogP-2.05
Rot. Bonds

About boranuide;bis(tetramethylazanium);acetate

boranuide;bis(tetramethylazanium);acetate (PubChem CID 173250936) has the molecular formula C10H31BN2O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is boranuide;bis(tetramethylazanium);acetate.

Molecular Properties

Compound Nameboranuide;bis(tetramethylazanium);acetate
PubChem CID173250936
Molecular FormulaC10H31BN2O2
Molecular Weight222.18 g/mol
Exact Mass222.25
IUPAC Nameboranuide;bis(tetramethylazanium);acetate
SMILESCC(=O)[O-].C[N+](C)(C)C.C[N+](C)(C)C.[BH4-]
InChIInChI=1S/2C4H12N.C2H4O2.BH4/c2*1-5(2,3)4;1-2(3)4;/h2*1-4H3;1H3,(H,3,4);1H4/q2*+1;;-1/p-1
InChIKeyHDXOCDSFWUVMKQ-UHFFFAOYSA-M
XLogP-2.05
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 5-2.05
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

tricalcium diacetate
CID 19804487
uranium hexaacetate
CID 20541057
zirconium acetate
CID 18596
manganese(3+) diacetate
CID 159209977
terbium(3+) acetate
CID 22482914
(indium(3+)) diacetate
CID 173450278
bis(cobalt(2+));tetraacetate
CID 157121376
CID 170997571
CID 170997571
nonasodium;nonaacetate
CID 173443222
tris(barium(2+)) diacetate
CID 19804496
uranium(4+) tetraacetate
CID 51035191
CID 87243144
CID 87243144

Frequently Asked Questions

What is the IUPAC name of boranuide;bis(tetramethylazanium);acetate?
The IUPAC name of boranuide;bis(tetramethylazanium);acetate (CID 173250936) is boranuide;bis(tetramethylazanium);acetate.
What is the SMILES notation for boranuide;bis(tetramethylazanium);acetate?
The canonical SMILES for boranuide;bis(tetramethylazanium);acetate is CC(=O)[O-].C[N+](C)(C)C.C[N+](C)(C)C.[BH4-].
What is the InChIKey of boranuide;bis(tetramethylazanium);acetate?
The InChIKey is HDXOCDSFWUVMKQ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C4H12N.C2H4O2.BH4/c2*1-5(2,3)4;1-2(3)4;/h2*1-4H3;1H3,(H,3,4);1H4/q2*+1;;-1/p-1.
What are the key properties of boranuide;bis(tetramethylazanium);acetate?
boranuide;bis(tetramethylazanium);acetate has a molecular weight of 222.18 g/mol, XLogP of -2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for boranuide;bis(tetramethylazanium);acetate is sourced from PubChem (CID 173250936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).