cobalt(2+);methoxy(dioxido)borane

CH3BCoO3 — CID 90036762

IUPACcobalt(2+);methoxy(dioxido)borane
SMILESCOB([O-])[O-].[Co+2]
InChIInChI=1S/CH3BO3.Co/c1-5-2(3)4;/h1H3;/q-2;+2
InChIKeyWYDATFNHTVRATI-UHFFFAOYSA-N
MW132.78 g/mol
LogP-2.66
Rot. Bonds1

About cobalt(2+);methoxy(dioxido)borane

cobalt(2+);methoxy(dioxido)borane (PubChem CID 90036762) has the molecular formula CH3BCoO3 and a molecular weight of 132.78 g/mol. Its IUPAC name is cobalt(2+);methoxy(dioxido)borane.

Molecular Properties

Compound Namecobalt(2+);methoxy(dioxido)borane
PubChem CID90036762
Molecular FormulaCH3BCoO3
Molecular Weight132.78 g/mol
Exact Mass132.95
IUPAC Namecobalt(2+);methoxy(dioxido)borane
SMILESCOB([O-])[O-].[Co+2]
InChIInChI=1S/CH3BO3.Co/c1-5-2(3)4;/h1H3;/q-2;+2
InChIKeyWYDATFNHTVRATI-UHFFFAOYSA-N
XLogP-2.66
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.78
LogP ≤ 5-2.66
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 cobalt(2+);methoxy(dioxido)borane?
The IUPAC name of cobalt(2+);methoxy(dioxido)borane (CID 90036762) is cobalt(2+);methoxy(dioxido)borane.
What is the SMILES notation for cobalt(2+);methoxy(dioxido)borane?
The canonical SMILES for cobalt(2+);methoxy(dioxido)borane is COB([O-])[O-].[Co+2].
What is the InChIKey of cobalt(2+);methoxy(dioxido)borane?
The InChIKey is WYDATFNHTVRATI-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3BO3.Co/c1-5-2(3)4;/h1H3;/q-2;+2.
What are the key properties of cobalt(2+);methoxy(dioxido)borane?
cobalt(2+);methoxy(dioxido)borane has a molecular weight of 132.78 g/mol, XLogP of -2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);methoxy(dioxido)borane is sourced from PubChem (CID 90036762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).