5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione

C18H12O6Si — CID 12642119

IUPAC5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione
SMILESC[Si](C)(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C18H12O6Si/c1-25(2,9-3-5-11-13(7-9)17(21)23-15(11)19)10-4-6-12-14(8-10)18(22)24-16(12)20/h3-8H,1-2H3
InChIKeyQCIZKUJZSDNQAH-UHFFFAOYSA-N
MW352.37 g/mol
LogP1.13
Rot. Bonds2

About 5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione

5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione (PubChem CID 12642119) has the molecular formula C18H12O6Si and a molecular weight of 352.37 g/mol. Its IUPAC name is 5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione
PubChem CID12642119
Molecular FormulaC18H12O6Si
Molecular Weight352.37 g/mol
Exact Mass352.04
IUPAC Name5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione
SMILESC[Si](C)(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C18H12O6Si/c1-25(2,9-3-5-11-13(7-9)17(21)23-15(11)19)10-4-6-12-14(8-10)18(22)24-16(12)20/h3-8H,1-2H3
InChIKeyQCIZKUJZSDNQAH-UHFFFAOYSA-N
XLogP1.13
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione?
The IUPAC name of 5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione (CID 12642119) is 5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione is C[Si](C)(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O.
What is the InChIKey of 5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione?
The InChIKey is QCIZKUJZSDNQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O6Si/c1-25(2,9-3-5-11-13(7-9)17(21)23-15(11)19)10-4-6-12-14(8-10)18(22)24-16(12)20/h3-8H,1-2H3.
What are the key properties of 5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione?
5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione has a molecular weight of 352.37 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 12642119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).