4-[methoxy(dimethyl)silyl]-2-benzofuran-1,3-dione

C11H12O4Si — CID 54289028

IUPAC4-[methoxy(dimethyl)silyl]-2-benzofuran-1,3-dione
SMILESCO[Si](C)(C)c1cccc2c1C(=O)OC2=O
InChIInChI=1S/C11H12O4Si/c1-14-16(2,3)8-6-4-5-7-9(8)11(13)15-10(7)12/h4-6H,1-3H3
InChIKeyRWEWATRGYOREPG-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.06
Rot. Bonds2

About 4-[methoxy(dimethyl)silyl]-2-benzofuran-1,3-dione

4-[methoxy(dimethyl)silyl]-2-benzofuran-1,3-dione (PubChem CID 54289028) has the molecular formula C11H12O4Si and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-[methoxy(dimethyl)silyl]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name4-[methoxy(dimethyl)silyl]-2-benzofuran-1,3-dione
PubChem CID54289028
Molecular FormulaC11H12O4Si
Molecular Weight236.30 g/mol
Exact Mass236.05
IUPAC Name4-[methoxy(dimethyl)silyl]-2-benzofuran-1,3-dione
SMILESCO[Si](C)(C)c1cccc2c1C(=O)OC2=O
InChIInChI=1S/C11H12O4Si/c1-14-16(2,3)8-6-4-5-7-9(8)11(13)15-10(7)12/h4-6H,1-3H3
InChIKeyRWEWATRGYOREPG-UHFFFAOYSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.06
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 4-[methoxy(dimethyl)silyl]-2-benzofuran-1,3-dione?
The IUPAC name of 4-[methoxy(dimethyl)silyl]-2-benzofuran-1,3-dione (CID 54289028) is 4-[methoxy(dimethyl)silyl]-2-benzofuran-1,3-dione.
What is the SMILES notation for 4-[methoxy(dimethyl)silyl]-2-benzofuran-1,3-dione?
The canonical SMILES for 4-[methoxy(dimethyl)silyl]-2-benzofuran-1,3-dione is CO[Si](C)(C)c1cccc2c1C(=O)OC2=O.
What is the InChIKey of 4-[methoxy(dimethyl)silyl]-2-benzofuran-1,3-dione?
The InChIKey is RWEWATRGYOREPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4Si/c1-14-16(2,3)8-6-4-5-7-9(8)11(13)15-10(7)12/h4-6H,1-3H3.
What are the key properties of 4-[methoxy(dimethyl)silyl]-2-benzofuran-1,3-dione?
4-[methoxy(dimethyl)silyl]-2-benzofuran-1,3-dione has a molecular weight of 236.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(dimethyl)silyl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 54289028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).