5-[ethoxy(dimethyl)silyl]-2-benzofuran-1,3-dione

C12H14O4Si — CID 23116696

IUPAC5-[ethoxy(dimethyl)silyl]-2-benzofuran-1,3-dione
SMILESCCO[Si](C)(C)c1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C12H14O4Si/c1-4-15-17(2,3)8-5-6-9-10(7-8)12(14)16-11(9)13/h5-7H,4H2,1-3H3
InChIKeyJSPAUJWORMKWOQ-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.45
Rot. Bonds3

About 5-[ethoxy(dimethyl)silyl]-2-benzofuran-1,3-dione

5-[ethoxy(dimethyl)silyl]-2-benzofuran-1,3-dione (PubChem CID 23116696) has the molecular formula C12H14O4Si and a molecular weight of 250.33 g/mol. Its IUPAC name is 5-[ethoxy(dimethyl)silyl]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-[ethoxy(dimethyl)silyl]-2-benzofuran-1,3-dione
PubChem CID23116696
Molecular FormulaC12H14O4Si
Molecular Weight250.33 g/mol
Exact Mass250.07
IUPAC Name5-[ethoxy(dimethyl)silyl]-2-benzofuran-1,3-dione
SMILESCCO[Si](C)(C)c1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C12H14O4Si/c1-4-15-17(2,3)8-5-6-9-10(7-8)12(14)16-11(9)13/h5-7H,4H2,1-3H3
InChIKeyJSPAUJWORMKWOQ-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[ethoxy(dimethyl)silyl]-2-benzofuran-1,3-dione?
The IUPAC name of 5-[ethoxy(dimethyl)silyl]-2-benzofuran-1,3-dione (CID 23116696) is 5-[ethoxy(dimethyl)silyl]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-[ethoxy(dimethyl)silyl]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-[ethoxy(dimethyl)silyl]-2-benzofuran-1,3-dione is CCO[Si](C)(C)c1ccc2c(c1)C(=O)OC2=O.
What is the InChIKey of 5-[ethoxy(dimethyl)silyl]-2-benzofuran-1,3-dione?
The InChIKey is JSPAUJWORMKWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4Si/c1-4-15-17(2,3)8-5-6-9-10(7-8)12(14)16-11(9)13/h5-7H,4H2,1-3H3.
What are the key properties of 5-[ethoxy(dimethyl)silyl]-2-benzofuran-1,3-dione?
5-[ethoxy(dimethyl)silyl]-2-benzofuran-1,3-dione has a molecular weight of 250.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethoxy(dimethyl)silyl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 23116696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).