hydroperoxyboronic acid

H6B2O8 — CID 173280706

IUPAChydroperoxyboronic acid
SMILESOOB(O)O.OOB(O)O
InChIInChI=1S/2BH3O4/c2*2-1(3)5-4/h2*2-4H
InChIKeyUTVUEUYKJIIXOM-UHFFFAOYSA-N
MW155.66 g/mol
LogP-3.11
Rot. Bonds2

About hydroperoxyboronic acid

hydroperoxyboronic acid (PubChem CID 173280706) has the molecular formula H6B2O8 and a molecular weight of 155.66 g/mol. Its IUPAC name is hydroperoxyboronic acid.

Molecular Properties

Compound Namehydroperoxyboronic acid
PubChem CID173280706
Molecular FormulaH6B2O8
Molecular Weight155.66 g/mol
Exact Mass156.02
IUPAC Namehydroperoxyboronic acid
SMILESOOB(O)O.OOB(O)O
InChIInChI=1S/2BH3O4/c2*2-1(3)5-4/h2*2-4H
InChIKeyUTVUEUYKJIIXOM-UHFFFAOYSA-N
XLogP-3.11
TPSA139.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500155.66
LogP ≤ 5-3.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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 hydroperoxyboronic acid?
The IUPAC name of hydroperoxyboronic acid (CID 173280706) is hydroperoxyboronic acid.
What is the SMILES notation for hydroperoxyboronic acid?
The canonical SMILES for hydroperoxyboronic acid is OOB(O)O.OOB(O)O.
What is the InChIKey of hydroperoxyboronic acid?
The InChIKey is UTVUEUYKJIIXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/2BH3O4/c2*2-1(3)5-4/h2*2-4H.
What are the key properties of hydroperoxyboronic acid?
hydroperoxyboronic acid has a molecular weight of 155.66 g/mol, XLogP of -3.11, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxyboronic acid is sourced from PubChem (CID 173280706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).