methoxy(dioxido)borane

CH3BO3-2 — CID 71359510

IUPACmethoxy(dioxido)borane
SMILESCOB([O-])[O-]
InChIInChI=1S/CH3BO3/c1-5-2(3)4/h1H3/q-2
InChIKeyMLSKXPOBNQFGHW-UHFFFAOYSA-N
MW73.84 g/mol
LogP-2.66
Rot. Bonds1

About methoxy(dioxido)borane

methoxy(dioxido)borane (PubChem CID 71359510) has the molecular formula CH3BO3-2 and a molecular weight of 73.84 g/mol. Its IUPAC name is methoxy(dioxido)borane.

Molecular Properties

Compound Namemethoxy(dioxido)borane
PubChem CID71359510
Molecular FormulaCH3BO3-2
Molecular Weight73.84 g/mol
Exact Mass74.02
IUPAC Namemethoxy(dioxido)borane
SMILESCOB([O-])[O-]
InChIInChI=1S/CH3BO3/c1-5-2(3)4/h1H3/q-2
InChIKeyMLSKXPOBNQFGHW-UHFFFAOYSA-N
XLogP-2.66
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.84
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 methoxy(dioxido)borane?
The IUPAC name of methoxy(dioxido)borane (CID 71359510) is methoxy(dioxido)borane.
What is the SMILES notation for methoxy(dioxido)borane?
The canonical SMILES for methoxy(dioxido)borane is COB([O-])[O-].
What is the InChIKey of methoxy(dioxido)borane?
The InChIKey is MLSKXPOBNQFGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3BO3/c1-5-2(3)4/h1H3/q-2.
What are the key properties of methoxy(dioxido)borane?
methoxy(dioxido)borane has a molecular weight of 73.84 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 methoxy(dioxido)borane is sourced from PubChem (CID 71359510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).