ethenoxyboronic acid

C2H5BO3 — CID 22248386

IUPACethenoxyboronic acid
SMILESC=COB(O)O
InChIInChI=1S/C2H5BO3/c1-2-6-3(4)5/h2,4-5H,1H2
InChIKeyHHRKFGMMAHZWIM-UHFFFAOYSA-N
MW87.87 g/mol
LogP-0.88
Rot. Bonds2

About ethenoxyboronic acid

ethenoxyboronic acid (PubChem CID 22248386) has the molecular formula C2H5BO3 and a molecular weight of 87.87 g/mol. Its IUPAC name is ethenoxyboronic acid.

Molecular Properties

Compound Nameethenoxyboronic acid
PubChem CID22248386
Molecular FormulaC2H5BO3
Molecular Weight87.87 g/mol
Exact Mass88.03
IUPAC Nameethenoxyboronic acid
SMILESC=COB(O)O
InChIInChI=1S/C2H5BO3/c1-2-6-3(4)5/h2,4-5H,1H2
InChIKeyHHRKFGMMAHZWIM-UHFFFAOYSA-N
XLogP-0.88
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.87
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethenoxyboronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethenoxyboronic acid?
The IUPAC name of ethenoxyboronic acid (CID 22248386) is ethenoxyboronic acid.
What is the SMILES notation for ethenoxyboronic acid?
The canonical SMILES for ethenoxyboronic acid is C=COB(O)O.
What is the InChIKey of ethenoxyboronic acid?
The InChIKey is HHRKFGMMAHZWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BO3/c1-2-6-3(4)5/h2,4-5H,1H2.
What are the key properties of ethenoxyboronic acid?
ethenoxyboronic acid has a molecular weight of 87.87 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyboronic acid is sourced from PubChem (CID 22248386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).