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

C20H18O7Si2 — CID 11811985

IUPAC5-[[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione
SMILESC[Si](C)(O[Si](C)(C)c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C20H18O7Si2/c1-28(2,11-5-7-13-15(9-11)19(23)25-17(13)21)27-29(3,4)12-6-8-14-16(10-12)20(24)26-18(14)22/h5-10H,1-4H3
InChIKeyRXJJOQVOLXJBOL-UHFFFAOYSA-N
MW426.53 g/mol
LogP1.85
Rot. Bonds4

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

5-[[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione (PubChem CID 11811985) has the molecular formula C20H18O7Si2 and a molecular weight of 426.53 g/mol. Its IUPAC name is 5-[[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-[[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione
PubChem CID11811985
Molecular FormulaC20H18O7Si2
Molecular Weight426.53 g/mol
Exact Mass426.06
IUPAC Name5-[[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione
SMILESC[Si](C)(O[Si](C)(C)c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O
InChIInChI=1S/C20H18O7Si2/c1-28(2,11-5-7-13-15(9-11)19(23)25-17(13)21)27-29(3,4)12-6-8-14-16(10-12)20(24)26-18(14)22/h5-10H,1-4H3
InChIKeyRXJJOQVOLXJBOL-UHFFFAOYSA-N
XLogP1.85
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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]oxy-dimethylsilyl]-2-benzofuran-1,3-dione?
The IUPAC name of 5-[[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione (CID 11811985) is 5-[[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-[[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-[[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione is C[Si](C)(O[Si](C)(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]oxy-dimethylsilyl]-2-benzofuran-1,3-dione?
The InChIKey is RXJJOQVOLXJBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O7Si2/c1-28(2,11-5-7-13-15(9-11)19(23)25-17(13)21)27-29(3,4)12-6-8-14-16(10-12)20(24)26-18(14)22/h5-10H,1-4H3.
What are the key properties of 5-[[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione?
5-[[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione has a molecular weight of 426.53 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1,3-dioxo-2-benzofuran-5-yl)-dimethylsilyl]oxy-dimethylsilyl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 11811985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).