methoxy(oxo)borane

CH3BO2 — CID 22764434

IUPACmethoxy(oxo)borane
SMILESCOB=O
InChIInChI=1S/CH3BO2/c1-4-2-3/h1H3
InChIKeyIHJXRCIPORPJKP-UHFFFAOYSA-N
MW57.84 g/mol
LogP-0.40
Rot. Bonds1

About methoxy(oxo)borane

methoxy(oxo)borane (PubChem CID 22764434) has the molecular formula CH3BO2 and a molecular weight of 57.84 g/mol. Its IUPAC name is methoxy(oxo)borane.

Molecular Properties

Compound Namemethoxy(oxo)borane
PubChem CID22764434
Molecular FormulaCH3BO2
Molecular Weight57.84 g/mol
Exact Mass58.02
IUPAC Namemethoxy(oxo)borane
SMILESCOB=O
InChIInChI=1S/CH3BO2/c1-4-2-3/h1H3
InChIKeyIHJXRCIPORPJKP-UHFFFAOYSA-N
XLogP-0.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50057.84
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methoxy(oxo)borane?
The IUPAC name of methoxy(oxo)borane (CID 22764434) is methoxy(oxo)borane.
What is the SMILES notation for methoxy(oxo)borane?
The canonical SMILES for methoxy(oxo)borane is COB=O.
What is the InChIKey of methoxy(oxo)borane?
The InChIKey is IHJXRCIPORPJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3BO2/c1-4-2-3/h1H3.
What are the key properties of methoxy(oxo)borane?
methoxy(oxo)borane has a molecular weight of 57.84 g/mol, XLogP of -0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(oxo)borane is sourced from PubChem (CID 22764434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).