[(2-chlorobenzoyl)oxy-diphenylsilyl] 2-chlorobenzoate

C26H18Cl2O4Si — CID 21155090

IUPAC[(2-chlorobenzoyl)oxy-diphenylsilyl] 2-chlorobenzoate
SMILESO=C(O[Si](OC(=O)c1ccccc1Cl)(c1ccccc1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C26H18Cl2O4Si/c27-23-17-9-7-15-21(23)25(29)31-33(19-11-3-1-4-12-19,20-13-5-2-6-14-20)32-26(30)22-16-8-10-18-24(22)28/h1-18H
InChIKeyBILSRMGYIFCPSD-UHFFFAOYSA-N
MW493.42 g/mol
LogP5.26
Rot. Bonds6

About [(2-chlorobenzoyl)oxy-diphenylsilyl] 2-chlorobenzoate

[(2-chlorobenzoyl)oxy-diphenylsilyl] 2-chlorobenzoate (PubChem CID 21155090) has the molecular formula C26H18Cl2O4Si and a molecular weight of 493.42 g/mol. Its IUPAC name is [(2-chlorobenzoyl)oxy-diphenylsilyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[(2-chlorobenzoyl)oxy-diphenylsilyl] 2-chlorobenzoate
PubChem CID21155090
Molecular FormulaC26H18Cl2O4Si
Molecular Weight493.42 g/mol
Exact Mass492.04
IUPAC Name[(2-chlorobenzoyl)oxy-diphenylsilyl] 2-chlorobenzoate
SMILESO=C(O[Si](OC(=O)c1ccccc1Cl)(c1ccccc1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C26H18Cl2O4Si/c27-23-17-9-7-15-21(23)25(29)31-33(19-11-3-1-4-12-19,20-13-5-2-6-14-20)32-26(30)22-16-8-10-18-24(22)28/h1-18H
InChIKeyBILSRMGYIFCPSD-UHFFFAOYSA-N
XLogP5.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.42
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2-chlorobenzoyl)oxy-diphenylsilyl] 2-chlorobenzoate?
The IUPAC name of [(2-chlorobenzoyl)oxy-diphenylsilyl] 2-chlorobenzoate (CID 21155090) is [(2-chlorobenzoyl)oxy-diphenylsilyl] 2-chlorobenzoate.
What is the SMILES notation for [(2-chlorobenzoyl)oxy-diphenylsilyl] 2-chlorobenzoate?
The canonical SMILES for [(2-chlorobenzoyl)oxy-diphenylsilyl] 2-chlorobenzoate is O=C(O[Si](OC(=O)c1ccccc1Cl)(c1ccccc1)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of [(2-chlorobenzoyl)oxy-diphenylsilyl] 2-chlorobenzoate?
The InChIKey is BILSRMGYIFCPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2O4Si/c27-23-17-9-7-15-21(23)25(29)31-33(19-11-3-1-4-12-19,20-13-5-2-6-14-20)32-26(30)22-16-8-10-18-24(22)28/h1-18H.
What are the key properties of [(2-chlorobenzoyl)oxy-diphenylsilyl] 2-chlorobenzoate?
[(2-chlorobenzoyl)oxy-diphenylsilyl] 2-chlorobenzoate has a molecular weight of 493.42 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chlorobenzoyl)oxy-diphenylsilyl] 2-chlorobenzoate is sourced from PubChem (CID 21155090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).