magnesium;oxidooxy(oxo)borane;heptahydrate

H14B2MgO13 — CID 91617882

IUPACmagnesium;oxidooxy(oxo)borane;heptahydrate
SMILESO.O.O.O.O.O.O.O=BO[O-].O=BO[O-].[Mg+2]
InChIInChI=1S/2BHO3.Mg.7H2O/c2*2-1-4-3;;;;;;;;/h2*3H;;7*1H2/q;;+2;;;;;;;/p-2
InChIKeyFRFKWBDIFQIILN-UHFFFAOYSA-L
MW268.03 g/mol
LogP-9.67
Rot. Bonds2

About magnesium;oxidooxy(oxo)borane;heptahydrate

magnesium;oxidooxy(oxo)borane;heptahydrate (PubChem CID 91617882) has the molecular formula H14B2MgO13 and a molecular weight of 268.03 g/mol. Its IUPAC name is magnesium;oxidooxy(oxo)borane;heptahydrate.

Molecular Properties

Compound Namemagnesium;oxidooxy(oxo)borane;heptahydrate
PubChem CID91617882
Molecular FormulaH14B2MgO13
Molecular Weight268.03 g/mol
Exact Mass268.05
IUPAC Namemagnesium;oxidooxy(oxo)borane;heptahydrate
SMILESO.O.O.O.O.O.O.O=BO[O-].O=BO[O-].[Mg+2]
InChIInChI=1S/2BHO3.Mg.7H2O/c2*2-1-4-3;;;;;;;;/h2*3H;;7*1H2/q;;+2;;;;;;;/p-2
InChIKeyFRFKWBDIFQIILN-UHFFFAOYSA-L
XLogP-9.67
TPSA319.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.03
LogP ≤ 5-9.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 magnesium;oxidooxy(oxo)borane;heptahydrate?
The IUPAC name of magnesium;oxidooxy(oxo)borane;heptahydrate (CID 91617882) is magnesium;oxidooxy(oxo)borane;heptahydrate.
What is the SMILES notation for magnesium;oxidooxy(oxo)borane;heptahydrate?
The canonical SMILES for magnesium;oxidooxy(oxo)borane;heptahydrate is O.O.O.O.O.O.O.O=BO[O-].O=BO[O-].[Mg+2].
What is the InChIKey of magnesium;oxidooxy(oxo)borane;heptahydrate?
The InChIKey is FRFKWBDIFQIILN-UHFFFAOYSA-L. The full InChI is InChI=1S/2BHO3.Mg.7H2O/c2*2-1-4-3;;;;;;;;/h2*3H;;7*1H2/q;;+2;;;;;;;/p-2.
What are the key properties of magnesium;oxidooxy(oxo)borane;heptahydrate?
magnesium;oxidooxy(oxo)borane;heptahydrate has a molecular weight of 268.03 g/mol, XLogP of -9.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;oxidooxy(oxo)borane;heptahydrate is sourced from PubChem (CID 91617882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).