magnesium methoxy(dioxido)borane

CH3BMgO3 — CID 175605284

IUPACmagnesium methoxy(dioxido)borane
SMILESCOB([O-])[O-].[Mg+2]
InChIInChI=1S/CH3BO3.Mg/c1-5-2(3)4;/h1H3;/q-2;+2
InChIKeyIFYRBFHVWSPKAJ-UHFFFAOYSA-N
MW98.15 g/mol
LogP-3.04
Rot. Bonds1

About magnesium methoxy(dioxido)borane

magnesium methoxy(dioxido)borane (PubChem CID 175605284) has the molecular formula CH3BMgO3 and a molecular weight of 98.15 g/mol. Its IUPAC name is magnesium methoxy(dioxido)borane.

Molecular Properties

Compound Namemagnesium methoxy(dioxido)borane
PubChem CID175605284
Molecular FormulaCH3BMgO3
Molecular Weight98.15 g/mol
Exact Mass98.00
IUPAC Namemagnesium methoxy(dioxido)borane
SMILESCOB([O-])[O-].[Mg+2]
InChIInChI=1S/CH3BO3.Mg/c1-5-2(3)4;/h1H3;/q-2;+2
InChIKeyIFYRBFHVWSPKAJ-UHFFFAOYSA-N
XLogP-3.04
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 5-3.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium methoxy(dioxido)borane?
The IUPAC name of magnesium methoxy(dioxido)borane (CID 175605284) is magnesium methoxy(dioxido)borane.
What is the SMILES notation for magnesium methoxy(dioxido)borane?
The canonical SMILES for magnesium methoxy(dioxido)borane is COB([O-])[O-].[Mg+2].
What is the InChIKey of magnesium methoxy(dioxido)borane?
The InChIKey is IFYRBFHVWSPKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3BO3.Mg/c1-5-2(3)4;/h1H3;/q-2;+2.
What are the key properties of magnesium methoxy(dioxido)borane?
magnesium methoxy(dioxido)borane has a molecular weight of 98.15 g/mol, XLogP of -3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium methoxy(dioxido)borane is sourced from PubChem (CID 175605284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).