5-[Diethoxy(methyl)silyl]-2-benzofuran-1,3-dione

C13H16O5Si — CID 23116730

IUPAC5-[diethoxy(methyl)silyl]-2-benzofuran-1,3-dione
SMILESCCO[Si](C)(C1=CC2=C(C=C1)C(=O)OC2=O)OCC
InChIInChI=1S/C13H16O5Si/c1-4-16-19(3,17-5-2)9-6-7-10-11(8-9)13(15)18-12(10)14/h6-8H,4-5H2,1-3H3
InChIKeyJOQSOQCFZHDAHM-UHFFFAOYSA-N
MW280.35 g/mol
LogP—
Rot. Bonds5

About 5-[Diethoxy(methyl)silyl]-2-benzofuran-1,3-dione

5-[Diethoxy(methyl)silyl]-2-benzofuran-1,3-dione (PubChem CID 23116730) has the molecular formula C13H16O5Si and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-[diethoxy(methyl)silyl]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-[Diethoxy(methyl)silyl]-2-benzofuran-1,3-dione
PubChem CID23116730
Molecular FormulaC13H16O5Si
Molecular Weight280.35 g/mol
Exact Mass280.08
IUPAC Name5-[diethoxy(methyl)silyl]-2-benzofuran-1,3-dione
SMILESCCO[Si](C)(C1=CC2=C(C=C1)C(=O)OC2=O)OCC
InChIInChI=1S/C13H16O5Si/c1-4-16-19(3,17-5-2)9-6-7-10-11(8-9)13(15)18-12(10)14/h6-8H,4-5H2,1-3H3
InChIKeyJOQSOQCFZHDAHM-UHFFFAOYSA-N
XLogP—
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity364

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 5-[Diethoxy(methyl)silyl]-2-benzofuran-1,3-dione?
The IUPAC name of 5-[Diethoxy(methyl)silyl]-2-benzofuran-1,3-dione (CID 23116730) is 5-[diethoxy(methyl)silyl]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-[Diethoxy(methyl)silyl]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-[Diethoxy(methyl)silyl]-2-benzofuran-1,3-dione is CCO[Si](C)(C1=CC2=C(C=C1)C(=O)OC2=O)OCC.
What is the InChIKey of 5-[Diethoxy(methyl)silyl]-2-benzofuran-1,3-dione?
The InChIKey is JOQSOQCFZHDAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5Si/c1-4-16-19(3,17-5-2)9-6-7-10-11(8-9)13(15)18-12(10)14/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-[Diethoxy(methyl)silyl]-2-benzofuran-1,3-dione?
5-[Diethoxy(methyl)silyl]-2-benzofuran-1,3-dione has a molecular weight of 280.35 g/mol, XLogP of not available, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[Diethoxy(methyl)silyl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 23116730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).