4-chlorosilyl-2-benzofuran-1,3-dione

C8H5ClO3Si — CID 154419278

IUPAC4-chlorosilyl-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2c([SiH2]Cl)cccc21
InChIInChI=1S/C8H5ClO3Si/c9-13-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H,13H2
InChIKeyHUXIJNMGHCBEJJ-UHFFFAOYSA-N
MW212.66 g/mol
LogP-0.05
Rot. Bonds1

About 4-chlorosilyl-2-benzofuran-1,3-dione

4-chlorosilyl-2-benzofuran-1,3-dione (PubChem CID 154419278) has the molecular formula C8H5ClO3Si and a molecular weight of 212.66 g/mol. Its IUPAC name is 4-chlorosilyl-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name4-chlorosilyl-2-benzofuran-1,3-dione
PubChem CID154419278
Molecular FormulaC8H5ClO3Si
Molecular Weight212.66 g/mol
Exact Mass211.97
IUPAC Name4-chlorosilyl-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2c([SiH2]Cl)cccc21
InChIInChI=1S/C8H5ClO3Si/c9-13-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H,13H2
InChIKeyHUXIJNMGHCBEJJ-UHFFFAOYSA-N
XLogP-0.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

4-[(1,3-dioxo-2-benzofuran-4-yl)sulfanyl]-2-benzofuran-1,3-dione
CID 54066898
4-[(1,3-dioxo-2-benzofuran-4-yl)oxy]-2-benzofuran-1,3-dione
CID 11012332
2-benzofuran-1,3-dione
CID 123741998
2-benzofuran-1,3-dione
CID 163894732
4-tert-butyl-2-benzofuran-1,3-dione
CID 54013272
4-ethynyl-2-benzofuran-1,3-dione
CID 45117214
4-nitro-2-benzofuran-1,3-dione
CID 21631
4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione
CID 159533939
4-[2-(1,3-dioxo-2-benzofuran-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione
CID 19927218
7,12-dioxatetracyclo[12.3.1.02,9.05,10]octadeca-1(18),2(9),3,5(10),14,16-hexaene-6,8,11,13-tetrone
CID 56628669
potassium;4,5-dichloro-2-benzofuran-1,3-dione;fluoride
CID 88750823
bis(2-benzofuran-1,3-dione);ethane
CID 143680396

Frequently Asked Questions

What is the IUPAC name of 4-chlorosilyl-2-benzofuran-1,3-dione?
The IUPAC name of 4-chlorosilyl-2-benzofuran-1,3-dione (CID 154419278) is 4-chlorosilyl-2-benzofuran-1,3-dione.
What is the SMILES notation for 4-chlorosilyl-2-benzofuran-1,3-dione?
The canonical SMILES for 4-chlorosilyl-2-benzofuran-1,3-dione is O=C1OC(=O)c2c([SiH2]Cl)cccc21.
What is the InChIKey of 4-chlorosilyl-2-benzofuran-1,3-dione?
The InChIKey is HUXIJNMGHCBEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClO3Si/c9-13-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H,13H2.
What are the key properties of 4-chlorosilyl-2-benzofuran-1,3-dione?
4-chlorosilyl-2-benzofuran-1,3-dione has a molecular weight of 212.66 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorosilyl-2-benzofuran-1,3-dione is sourced from PubChem (CID 154419278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).