[(2-chloroacetyl)oxy-triphenyl-λ5-stibanyl] 2-chloroacetate

C22H19Cl2O4Sb — CID 16683776

IUPAC[(2-chloroacetyl)oxy-triphenyl-λ5-stibanyl] 2-chloroacetate
SMILESO=C(CCl)O[Sb](OC(=O)CCl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.2C2H3ClO2.Sb/c3*1-2-4-6-5-3-1;2*3-1-2(4)5;/h3*1-5H;2*1H2,(H,4,5);/q;;;;;+2/p-2
InChIKeyYMTRDKOKOZMFFE-UHFFFAOYSA-L
MW540.06 g/mol
LogP2.67
Rot. Bonds7

About [(2-chloroacetyl)oxy-triphenyl-λ5-stibanyl] 2-chloroacetate

[(2-chloroacetyl)oxy-triphenyl-λ5-stibanyl] 2-chloroacetate (PubChem CID 16683776) has the molecular formula C22H19Cl2O4Sb and a molecular weight of 540.06 g/mol. Its IUPAC name is [(2-chloroacetyl)oxy-triphenyl-λ5-stibanyl] 2-chloroacetate.

Molecular Properties

Compound Name[(2-chloroacetyl)oxy-triphenyl-λ5-stibanyl] 2-chloroacetate
PubChem CID16683776
Molecular FormulaC22H19Cl2O4Sb
Molecular Weight540.06 g/mol
Exact Mass537.97
IUPAC Name[(2-chloroacetyl)oxy-triphenyl-λ5-stibanyl] 2-chloroacetate
SMILESO=C(CCl)O[Sb](OC(=O)CCl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.2C2H3ClO2.Sb/c3*1-2-4-6-5-3-1;2*3-1-2(4)5;/h3*1-5H;2*1H2,(H,4,5);/q;;;;;+2/p-2
InChIKeyYMTRDKOKOZMFFE-UHFFFAOYSA-L
XLogP2.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.06
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2-chloroacetyl)oxy-triphenyl-λ5-stibanyl] 2-chloroacetate?
The IUPAC name of [(2-chloroacetyl)oxy-triphenyl-λ5-stibanyl] 2-chloroacetate (CID 16683776) is [(2-chloroacetyl)oxy-triphenyl-λ5-stibanyl] 2-chloroacetate.
What is the SMILES notation for [(2-chloroacetyl)oxy-triphenyl-λ5-stibanyl] 2-chloroacetate?
The canonical SMILES for [(2-chloroacetyl)oxy-triphenyl-λ5-stibanyl] 2-chloroacetate is O=C(CCl)O[Sb](OC(=O)CCl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2-chloroacetyl)oxy-triphenyl-λ5-stibanyl] 2-chloroacetate?
The InChIKey is YMTRDKOKOZMFFE-UHFFFAOYSA-L. The full InChI is InChI=1S/3C6H5.2C2H3ClO2.Sb/c3*1-2-4-6-5-3-1;2*3-1-2(4)5;/h3*1-5H;2*1H2,(H,4,5);/q;;;;;+2/p-2.
What are the key properties of [(2-chloroacetyl)oxy-triphenyl-λ5-stibanyl] 2-chloroacetate?
[(2-chloroacetyl)oxy-triphenyl-λ5-stibanyl] 2-chloroacetate has a molecular weight of 540.06 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloroacetyl)oxy-triphenyl-λ5-stibanyl] 2-chloroacetate is sourced from PubChem (CID 16683776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).