5-trimethylsilylfuran-3-carboxylic acid

C8H12O3Si — CID 13333561

IUPAC5-trimethylsilylfuran-3-carboxylic acid
SMILESC[Si](C)(C)c1cc(C(=O)O)co1
InChIInChI=1S/C8H12O3Si/c1-12(2,3)7-4-6(5-11-7)8(9)10/h4-5H,1-3H3,(H,9,10)
InChIKeyZMNGAGUCYCHHRV-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.52
Rot. Bonds2

About 5-trimethylsilylfuran-3-carboxylic acid

5-trimethylsilylfuran-3-carboxylic acid (PubChem CID 13333561) has the molecular formula C8H12O3Si and a molecular weight of 184.27 g/mol. Its IUPAC name is 5-trimethylsilylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-trimethylsilylfuran-3-carboxylic acid
PubChem CID13333561
Molecular FormulaC8H12O3Si
Molecular Weight184.27 g/mol
Exact Mass184.06
IUPAC Name5-trimethylsilylfuran-3-carboxylic acid
SMILESC[Si](C)(C)c1cc(C(=O)O)co1
InChIInChI=1S/C8H12O3Si/c1-12(2,3)7-4-6(5-11-7)8(9)10/h4-5H,1-3H3,(H,9,10)
InChIKeyZMNGAGUCYCHHRV-UHFFFAOYSA-N
XLogP1.52
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
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 5-trimethylsilylfuran-3-carboxylic acid?
The IUPAC name of 5-trimethylsilylfuran-3-carboxylic acid (CID 13333561) is 5-trimethylsilylfuran-3-carboxylic acid.
What is the SMILES notation for 5-trimethylsilylfuran-3-carboxylic acid?
The canonical SMILES for 5-trimethylsilylfuran-3-carboxylic acid is C[Si](C)(C)c1cc(C(=O)O)co1.
What is the InChIKey of 5-trimethylsilylfuran-3-carboxylic acid?
The InChIKey is ZMNGAGUCYCHHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3Si/c1-12(2,3)7-4-6(5-11-7)8(9)10/h4-5H,1-3H3,(H,9,10).
What are the key properties of 5-trimethylsilylfuran-3-carboxylic acid?
5-trimethylsilylfuran-3-carboxylic acid has a molecular weight of 184.27 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-trimethylsilylfuran-3-carboxylic acid is sourced from PubChem (CID 13333561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).