3-trimethylsilylfuran-2,5-dione

C7H10O3Si — CID 12736479

IUPAC3-trimethylsilylfuran-2,5-dione
SMILESC[Si](C)(C)C1=CC(=O)OC1=O
InChIInChI=1S/C7H10O3Si/c1-11(2,3)5-4-6(8)10-7(5)9/h4H,1-3H3
InChIKeyKLCDAXISMIFSGZ-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.87
Rot. Bonds1

About 3-trimethylsilylfuran-2,5-dione

3-trimethylsilylfuran-2,5-dione (PubChem CID 12736479) has the molecular formula C7H10O3Si and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-trimethylsilylfuran-2,5-dione.

Molecular Properties

Compound Name3-trimethylsilylfuran-2,5-dione
PubChem CID12736479
Molecular FormulaC7H10O3Si
Molecular Weight170.24 g/mol
Exact Mass170.04
IUPAC Name3-trimethylsilylfuran-2,5-dione
SMILESC[Si](C)(C)C1=CC(=O)OC1=O
InChIInChI=1S/C7H10O3Si/c1-11(2,3)5-4-6(8)10-7(5)9/h4H,1-3H3
InChIKeyKLCDAXISMIFSGZ-UHFFFAOYSA-N
XLogP0.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilylfuran-2,5-dione?
The IUPAC name of 3-trimethylsilylfuran-2,5-dione (CID 12736479) is 3-trimethylsilylfuran-2,5-dione.
What is the SMILES notation for 3-trimethylsilylfuran-2,5-dione?
The canonical SMILES for 3-trimethylsilylfuran-2,5-dione is C[Si](C)(C)C1=CC(=O)OC1=O.
What is the InChIKey of 3-trimethylsilylfuran-2,5-dione?
The InChIKey is KLCDAXISMIFSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3Si/c1-11(2,3)5-4-6(8)10-7(5)9/h4H,1-3H3.
What are the key properties of 3-trimethylsilylfuran-2,5-dione?
3-trimethylsilylfuran-2,5-dione has a molecular weight of 170.24 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylfuran-2,5-dione is sourced from PubChem (CID 12736479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).