hydroperoxyboronic acid;hexahydrate

H15BO10 — CID 173105296

IUPAChydroperoxyboronic acid;hexahydrate
SMILESO.O.O.O.O.O.OOB(O)O
InChIInChI=1S/BH3O4.6H2O/c2-1(3)5-4;;;;;;/h2-4H;6*1H2
InChIKeyNLONOJVDZWHSNR-UHFFFAOYSA-N
MW185.92 g/mol
LogP-6.50
Rot. Bonds1

About hydroperoxyboronic acid;hexahydrate

hydroperoxyboronic acid;hexahydrate (PubChem CID 173105296) has the molecular formula H15BO10 and a molecular weight of 185.92 g/mol. Its IUPAC name is hydroperoxyboronic acid;hexahydrate.

Molecular Properties

Compound Namehydroperoxyboronic acid;hexahydrate
PubChem CID173105296
Molecular FormulaH15BO10
Molecular Weight185.92 g/mol
Exact Mass186.08
IUPAC Namehydroperoxyboronic acid;hexahydrate
SMILESO.O.O.O.O.O.OOB(O)O
InChIInChI=1S/BH3O4.6H2O/c2-1(3)5-4;;;;;;/h2-4H;6*1H2
InChIKeyNLONOJVDZWHSNR-UHFFFAOYSA-N
XLogP-6.50
TPSA258.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.92
LogP ≤ 5-6.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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;hexahydrate?
The IUPAC name of hydroperoxyboronic acid;hexahydrate (CID 173105296) is hydroperoxyboronic acid;hexahydrate.
What is the SMILES notation for hydroperoxyboronic acid;hexahydrate?
The canonical SMILES for hydroperoxyboronic acid;hexahydrate is O.O.O.O.O.O.OOB(O)O.
What is the InChIKey of hydroperoxyboronic acid;hexahydrate?
The InChIKey is NLONOJVDZWHSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O4.6H2O/c2-1(3)5-4;;;;;;/h2-4H;6*1H2.
What are the key properties of hydroperoxyboronic acid;hexahydrate?
hydroperoxyboronic acid;hexahydrate has a molecular weight of 185.92 g/mol, XLogP of -6.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxyboronic acid;hexahydrate is sourced from PubChem (CID 173105296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).