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

C23H14O6Si — CID 12642120

IUPAC5-[(1,3-dioxo-2-benzofuran-5-yl)-methyl-phenylsilyl]-2-benzofuran-1,3-dione
SMILESC[Si](c1ccccc1)(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C23H14O6Si/c1-30(13-5-3-2-4-6-13,14-7-9-16-18(11-14)22(26)28-20(16)24)15-8-10-17-19(12-15)23(27)29-21(17)25/h2-12H,1H3
InChIKeyINRVMCZPXFMVHO-UHFFFAOYSA-N
MW414.45 g/mol
LogP1.41
Rot. Bonds3

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

5-[(1,3-dioxo-2-benzofuran-5-yl)-methyl-phenylsilyl]-2-benzofuran-1,3-dione (PubChem CID 12642120) has the molecular formula C23H14O6Si and a molecular weight of 414.45 g/mol. Its IUPAC name is 5-[(1,3-dioxo-2-benzofuran-5-yl)-methyl-phenylsilyl]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-[(1,3-dioxo-2-benzofuran-5-yl)-methyl-phenylsilyl]-2-benzofuran-1,3-dione
PubChem CID12642120
Molecular FormulaC23H14O6Si
Molecular Weight414.45 g/mol
Exact Mass414.06
IUPAC Name5-[(1,3-dioxo-2-benzofuran-5-yl)-methyl-phenylsilyl]-2-benzofuran-1,3-dione
SMILESC[Si](c1ccccc1)(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C23H14O6Si/c1-30(13-5-3-2-4-6-13,14-7-9-16-18(11-14)22(26)28-20(16)24)15-8-10-17-19(12-15)23(27)29-21(17)25/h2-12H,1H3
InChIKeyINRVMCZPXFMVHO-UHFFFAOYSA-N
XLogP1.41
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 51.41
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,3-dioxo-2-benzofuran-5-yl)-methyl-phenylsilyl]-2-benzofuran-1,3-dione?
The IUPAC name of 5-[(1,3-dioxo-2-benzofuran-5-yl)-methyl-phenylsilyl]-2-benzofuran-1,3-dione (CID 12642120) is 5-[(1,3-dioxo-2-benzofuran-5-yl)-methyl-phenylsilyl]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-[(1,3-dioxo-2-benzofuran-5-yl)-methyl-phenylsilyl]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-[(1,3-dioxo-2-benzofuran-5-yl)-methyl-phenylsilyl]-2-benzofuran-1,3-dione is C[Si](c1ccccc1)(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)-methyl-phenylsilyl]-2-benzofuran-1,3-dione?
The InChIKey is INRVMCZPXFMVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14O6Si/c1-30(13-5-3-2-4-6-13,14-7-9-16-18(11-14)22(26)28-20(16)24)15-8-10-17-19(12-15)23(27)29-21(17)25/h2-12H,1H3.
What are the key properties of 5-[(1,3-dioxo-2-benzofuran-5-yl)-methyl-phenylsilyl]-2-benzofuran-1,3-dione?
5-[(1,3-dioxo-2-benzofuran-5-yl)-methyl-phenylsilyl]-2-benzofuran-1,3-dione has a molecular weight of 414.45 g/mol, XLogP of 1.41, 3 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)-methyl-phenylsilyl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 12642120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).