3-silylfuran-2,5-dione

C4H4O3Si — CID 123405552

IUPAC3-silylfuran-2,5-dione
SMILESO=C1C=C([SiH3])C(=O)O1
InChIInChI=1S/C4H4O3Si/c5-3-1-2(8)4(6)7-3/h1H,8H3
InChIKeyUZWVWOPQEPEGAE-UHFFFAOYSA-N
MW128.16 g/mol
LogP-1.68
Rot. Bonds

About 3-silylfuran-2,5-dione

3-silylfuran-2,5-dione (PubChem CID 123405552) has the molecular formula C4H4O3Si and a molecular weight of 128.16 g/mol. Its IUPAC name is 3-silylfuran-2,5-dione.

Molecular Properties

Compound Name3-silylfuran-2,5-dione
PubChem CID123405552
Molecular FormulaC4H4O3Si
Molecular Weight128.16 g/mol
Exact Mass127.99
IUPAC Name3-silylfuran-2,5-dione
SMILESO=C1C=C([SiH3])C(=O)O1
InChIInChI=1S/C4H4O3Si/c5-3-1-2(8)4(6)7-3/h1H,8H3
InChIKeyUZWVWOPQEPEGAE-UHFFFAOYSA-N
XLogP-1.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.16
LogP ≤ 5-1.68
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-silylfuran-2,5-dione?
The IUPAC name of 3-silylfuran-2,5-dione (CID 123405552) is 3-silylfuran-2,5-dione.
What is the SMILES notation for 3-silylfuran-2,5-dione?
The canonical SMILES for 3-silylfuran-2,5-dione is O=C1C=C([SiH3])C(=O)O1.
What is the InChIKey of 3-silylfuran-2,5-dione?
The InChIKey is UZWVWOPQEPEGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O3Si/c5-3-1-2(8)4(6)7-3/h1H,8H3.
What are the key properties of 3-silylfuran-2,5-dione?
3-silylfuran-2,5-dione has a molecular weight of 128.16 g/mol, XLogP of -1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-silylfuran-2,5-dione is sourced from PubChem (CID 123405552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).