dihydroperoxyboranyl dihydroxy borate

H4B2O9 — CID 172840470

IUPACdihydroperoxyboranyl dihydroxy borate
SMILESOOB(OO)OB(OO)OO
InChIInChI=1S/B2H4O9/c3-8-1(9-4)7-2(10-5)11-6/h3-6H
InChIKeyWSLJFKXASMZJPV-UHFFFAOYSA-N
MW169.65 g/mol
LogP-1.07
Rot. Bonds6

About dihydroperoxyboranyl dihydroxy borate

dihydroperoxyboranyl dihydroxy borate (PubChem CID 172840470) has the molecular formula H4B2O9 and a molecular weight of 169.65 g/mol. Its IUPAC name is dihydroperoxyboranyl dihydroxy borate.

Molecular Properties

Compound Namedihydroperoxyboranyl dihydroxy borate
PubChem CID172840470
Molecular FormulaH4B2O9
Molecular Weight169.65 g/mol
Exact Mass170.00
IUPAC Namedihydroperoxyboranyl dihydroxy borate
SMILESOOB(OO)OB(OO)OO
InChIInChI=1S/B2H4O9/c3-8-1(9-4)7-2(10-5)11-6/h3-6H
InChIKeyWSLJFKXASMZJPV-UHFFFAOYSA-N
XLogP-1.07
TPSA127.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.65
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dihydroperoxyboranyl dihydroxy borate?
The IUPAC name of dihydroperoxyboranyl dihydroxy borate (CID 172840470) is dihydroperoxyboranyl dihydroxy borate.
What is the SMILES notation for dihydroperoxyboranyl dihydroxy borate?
The canonical SMILES for dihydroperoxyboranyl dihydroxy borate is OOB(OO)OB(OO)OO.
What is the InChIKey of dihydroperoxyboranyl dihydroxy borate?
The InChIKey is WSLJFKXASMZJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/B2H4O9/c3-8-1(9-4)7-2(10-5)11-6/h3-6H.
What are the key properties of dihydroperoxyboranyl dihydroxy borate?
dihydroperoxyboranyl dihydroxy borate has a molecular weight of 169.65 g/mol, XLogP of -1.07, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroperoxyboranyl dihydroxy borate is sourced from PubChem (CID 172840470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).