5-hydroxypentylboronic acid

C5H13BO3 — CID 55255901

IUPAC5-hydroxypentylboronic acid
SMILESOCCCCCB(O)O
InChIInChI=1S/C5H13BO3/c7-5-3-1-2-4-6(8)9/h7-9H,1-5H2
InChIKeyYLWGPPUSJRXXJV-UHFFFAOYSA-N
MW131.97 g/mol
LogP-0.38
Rot. Bonds5

About 5-hydroxypentylboronic acid

5-hydroxypentylboronic acid (PubChem CID 55255901) has the molecular formula C5H13BO3 and a molecular weight of 131.97 g/mol. Its IUPAC name is 5-hydroxypentylboronic acid.

Molecular Properties

Compound Name5-hydroxypentylboronic acid
PubChem CID55255901
Molecular FormulaC5H13BO3
Molecular Weight131.97 g/mol
Exact Mass132.10
IUPAC Name5-hydroxypentylboronic acid
SMILESOCCCCCB(O)O
InChIInChI=1S/C5H13BO3/c7-5-3-1-2-4-6(8)9/h7-9H,1-5H2
InChIKeyYLWGPPUSJRXXJV-UHFFFAOYSA-N
XLogP-0.38
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.97
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-hydroxypentylboronic 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 5-hydroxypentylboronic acid?
The IUPAC name of 5-hydroxypentylboronic acid (CID 55255901) is 5-hydroxypentylboronic acid.
What is the SMILES notation for 5-hydroxypentylboronic acid?
The canonical SMILES for 5-hydroxypentylboronic acid is OCCCCCB(O)O.
What is the InChIKey of 5-hydroxypentylboronic acid?
The InChIKey is YLWGPPUSJRXXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13BO3/c7-5-3-1-2-4-6(8)9/h7-9H,1-5H2.
What are the key properties of 5-hydroxypentylboronic acid?
5-hydroxypentylboronic acid has a molecular weight of 131.97 g/mol, XLogP of -0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentylboronic acid is sourced from PubChem (CID 55255901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).