5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-carboxylic acid

C11H15BO5 — CID 46739031

IUPAC5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-carboxylic acid
SMILESCC1(C)OB(c2cc(C(=O)O)co2)OC1(C)C
InChIInChI=1S/C11H15BO5/c1-10(2)11(3,4)17-12(16-10)8-5-7(6-15-8)9(13)14/h5-6H,1-4H3,(H,13,14)
InChIKeyPFOYZUYJHLSIRL-UHFFFAOYSA-N
MW238.05 g/mol
LogP1.28
Rot. Bonds2

About 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-carboxylic acid

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-carboxylic acid (PubChem CID 46739031) has the molecular formula C11H15BO5 and a molecular weight of 238.05 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-carboxylic acid
PubChem CID46739031
Molecular FormulaC11H15BO5
Molecular Weight238.05 g/mol
Exact Mass238.10
IUPAC Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-carboxylic acid
SMILESCC1(C)OB(c2cc(C(=O)O)co2)OC1(C)C
InChIInChI=1S/C11H15BO5/c1-10(2)11(3,4)17-12(16-10)8-5-7(6-15-8)9(13)14/h5-6H,1-4H3,(H,13,14)
InChIKeyPFOYZUYJHLSIRL-UHFFFAOYSA-N
XLogP1.28
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.05
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-carboxylic acid?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-carboxylic acid (CID 46739031) is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-carboxylic acid?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-carboxylic acid is CC1(C)OB(c2cc(C(=O)O)co2)OC1(C)C.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-carboxylic acid?
The InChIKey is PFOYZUYJHLSIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BO5/c1-10(2)11(3,4)17-12(16-10)8-5-7(6-15-8)9(13)14/h5-6H,1-4H3,(H,13,14).
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-carboxylic acid?
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-carboxylic acid has a molecular weight of 238.05 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-3-carboxylic acid is sourced from PubChem (CID 46739031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).