(5-ethylfuran-2-yl)boronic acid

C6H9BO3 — CID 11378537

IUPAC(5-ethylfuran-2-yl)boronic acid
SMILESCCc1ccc(B(O)O)o1
InChIInChI=1S/C6H9BO3/c1-2-5-3-4-6(10-5)7(8)9/h3-4,8-9H,2H2,1H3
InChIKeyJPZUKVZFTJPMTM-UHFFFAOYSA-N
MW139.95 g/mol
LogP-0.48
Rot. Bonds2

About (5-ethylfuran-2-yl)boronic acid

(5-ethylfuran-2-yl)boronic acid (PubChem CID 11378537) has the molecular formula C6H9BO3 and a molecular weight of 139.95 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)boronic acid.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)boronic acid
PubChem CID11378537
Molecular FormulaC6H9BO3
Molecular Weight139.95 g/mol
Exact Mass140.06
IUPAC Name(5-ethylfuran-2-yl)boronic acid
SMILESCCc1ccc(B(O)O)o1
InChIInChI=1S/C6H9BO3/c1-2-5-3-4-6(10-5)7(8)9/h3-4,8-9H,2H2,1H3
InChIKeyJPZUKVZFTJPMTM-UHFFFAOYSA-N
XLogP-0.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.95
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
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 (5-ethylfuran-2-yl)boronic acid?
The IUPAC name of (5-ethylfuran-2-yl)boronic acid (CID 11378537) is (5-ethylfuran-2-yl)boronic acid.
What is the SMILES notation for (5-ethylfuran-2-yl)boronic acid?
The canonical SMILES for (5-ethylfuran-2-yl)boronic acid is CCc1ccc(B(O)O)o1.
What is the InChIKey of (5-ethylfuran-2-yl)boronic acid?
The InChIKey is JPZUKVZFTJPMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BO3/c1-2-5-3-4-6(10-5)7(8)9/h3-4,8-9H,2H2,1H3.
What are the key properties of (5-ethylfuran-2-yl)boronic acid?
(5-ethylfuran-2-yl)boronic acid has a molecular weight of 139.95 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)boronic acid is sourced from PubChem (CID 11378537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).