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

C11H12O5Si — CID 15738362

IUPAC5-[dimethoxy(methyl)silyl]-2-benzofuran-1,3-dione
SMILESCO[Si](C)(OC)c1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C11H12O5Si/c1-14-17(3,15-2)7-4-5-8-9(6-7)11(13)16-10(8)12/h4-6H,1-3H3
InChIKeyXXTHBMDCSDRWFW-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.57
Rot. Bonds3

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

5-[dimethoxy(methyl)silyl]-2-benzofuran-1,3-dione (PubChem CID 15738362) has the molecular formula C11H12O5Si and a molecular weight of 252.30 g/mol. Its IUPAC name is 5-[dimethoxy(methyl)silyl]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-[dimethoxy(methyl)silyl]-2-benzofuran-1,3-dione
PubChem CID15738362
Molecular FormulaC11H12O5Si
Molecular Weight252.30 g/mol
Exact Mass252.05
IUPAC Name5-[dimethoxy(methyl)silyl]-2-benzofuran-1,3-dione
SMILESCO[Si](C)(OC)c1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C11H12O5Si/c1-14-17(3,15-2)7-4-5-8-9(6-7)11(13)16-10(8)12/h4-6H,1-3H3
InChIKeyXXTHBMDCSDRWFW-UHFFFAOYSA-N
XLogP0.57
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.57
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-[dimethoxy(methyl)silyl]-2-benzofuran-1,3-dione?
The IUPAC name of 5-[dimethoxy(methyl)silyl]-2-benzofuran-1,3-dione (CID 15738362) is 5-[dimethoxy(methyl)silyl]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-[dimethoxy(methyl)silyl]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-[dimethoxy(methyl)silyl]-2-benzofuran-1,3-dione is CO[Si](C)(OC)c1ccc2c(c1)C(=O)OC2=O.
What is the InChIKey of 5-[dimethoxy(methyl)silyl]-2-benzofuran-1,3-dione?
The InChIKey is XXTHBMDCSDRWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5Si/c1-14-17(3,15-2)7-4-5-8-9(6-7)11(13)16-10(8)12/h4-6H,1-3H3.
What are the key properties of 5-[dimethoxy(methyl)silyl]-2-benzofuran-1,3-dione?
5-[dimethoxy(methyl)silyl]-2-benzofuran-1,3-dione has a molecular weight of 252.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dimethoxy(methyl)silyl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 15738362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).