1,3,2-Dioxaborole

C2H2BO2 — CID 15559061

IUPAC—
SMILES[B]1OC=CO1
InChIInChI=1S/C2H2BO2/c1-2-5-3-4-1/h1-2H
InChIKeyPVSYXTRYCBBBPY-UHFFFAOYSA-N
MW68.85 g/mol
LogP0.04
Rot. Bonds

About 1,3,2-Dioxaborole

1,3,2-Dioxaborole (PubChem CID 15559061) has the molecular formula C2H2BO2 and a molecular weight of 68.85 g/mol.

Molecular Properties

Compound Name1,3,2-Dioxaborole
PubChem CID15559061
Molecular FormulaC2H2BO2
Molecular Weight68.85 g/mol
Exact Mass69.01
IUPAC Name—
SMILES[B]1OC=CO1
InChIInChI=1S/C2H2BO2/c1-2-5-3-4-1/h1-2H
InChIKeyPVSYXTRYCBBBPY-UHFFFAOYSA-N
XLogP0.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.85
LogP ≤ 50.04
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 1,3,2-Dioxaborole?
The IUPAC name of 1,3,2-Dioxaborole (CID 15559061) is not available.
What is the SMILES notation for 1,3,2-Dioxaborole?
The canonical SMILES for 1,3,2-Dioxaborole is [B]1OC=CO1.
What is the InChIKey of 1,3,2-Dioxaborole?
The InChIKey is PVSYXTRYCBBBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2BO2/c1-2-5-3-4-1/h1-2H.
What are the key properties of 1,3,2-Dioxaborole?
1,3,2-Dioxaborole has a molecular weight of 68.85 g/mol, XLogP of 0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,2-Dioxaborole is sourced from PubChem (CID 15559061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).