2-trimethylsilylfuran-3-carboxylic acid

C8H12O3Si — CID 10888625

IUPAC2-trimethylsilylfuran-3-carboxylic acid
SMILESC[Si](C)(C)c1occc1C(=O)O
InChIInChI=1S/C8H12O3Si/c1-12(2,3)8-6(7(9)10)4-5-11-8/h4-5H,1-3H3,(H,9,10)
InChIKeyFRZZLNUYZMNUMY-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.52
Rot. Bonds2

About 2-trimethylsilylfuran-3-carboxylic acid

2-trimethylsilylfuran-3-carboxylic acid (PubChem CID 10888625) has the molecular formula C8H12O3Si and a molecular weight of 184.27 g/mol. Its IUPAC name is 2-trimethylsilylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2-trimethylsilylfuran-3-carboxylic acid
PubChem CID10888625
Molecular FormulaC8H12O3Si
Molecular Weight184.27 g/mol
Exact Mass184.06
IUPAC Name2-trimethylsilylfuran-3-carboxylic acid
SMILESC[Si](C)(C)c1occc1C(=O)O
InChIInChI=1S/C8H12O3Si/c1-12(2,3)8-6(7(9)10)4-5-11-8/h4-5H,1-3H3,(H,9,10)
InChIKeyFRZZLNUYZMNUMY-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 2-trimethylsilylfuran-3-carboxylic acid?
The IUPAC name of 2-trimethylsilylfuran-3-carboxylic acid (CID 10888625) is 2-trimethylsilylfuran-3-carboxylic acid.
What is the SMILES notation for 2-trimethylsilylfuran-3-carboxylic acid?
The canonical SMILES for 2-trimethylsilylfuran-3-carboxylic acid is C[Si](C)(C)c1occc1C(=O)O.
What is the InChIKey of 2-trimethylsilylfuran-3-carboxylic acid?
The InChIKey is FRZZLNUYZMNUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3Si/c1-12(2,3)8-6(7(9)10)4-5-11-8/h4-5H,1-3H3,(H,9,10).
What are the key properties of 2-trimethylsilylfuran-3-carboxylic acid?
2-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 2-trimethylsilylfuran-3-carboxylic acid is sourced from PubChem (CID 10888625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).