[2-chloro-5-(3-chlorophenyl)-5-oxopentanoyl] 2-chloro-5-(3-chlorophenyl)-5-oxopentaneperoxoate

C22H18Cl4O6 — CID 172822234

IUPAC[2-chloro-5-(3-chlorophenyl)-5-oxopentanoyl] 2-chloro-5-(3-chlorophenyl)-5-oxopentaneperoxoate
SMILESO=C(CCC(Cl)C(=O)OOC(=O)C(Cl)CCC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C22H18Cl4O6/c23-15-5-1-3-13(11-15)19(27)9-7-17(25)21(29)31-32-22(30)18(26)8-10-20(28)14-4-2-6-16(24)12-14/h1-6,11-12,17-18H,7-10H2
InChIKeyUJOICSNMAGLWSG-UHFFFAOYSA-N
MW520.19 g/mol
LogP5.84
Rot. Bonds10

About [2-chloro-5-(3-chlorophenyl)-5-oxopentanoyl] 2-chloro-5-(3-chlorophenyl)-5-oxopentaneperoxoate

[2-chloro-5-(3-chlorophenyl)-5-oxopentanoyl] 2-chloro-5-(3-chlorophenyl)-5-oxopentaneperoxoate (PubChem CID 172822234) has the molecular formula C22H18Cl4O6 and a molecular weight of 520.19 g/mol. Its IUPAC name is [2-chloro-5-(3-chlorophenyl)-5-oxopentanoyl] 2-chloro-5-(3-chlorophenyl)-5-oxopentaneperoxoate.

Molecular Properties

Compound Name[2-chloro-5-(3-chlorophenyl)-5-oxopentanoyl] 2-chloro-5-(3-chlorophenyl)-5-oxopentaneperoxoate
PubChem CID172822234
Molecular FormulaC22H18Cl4O6
Molecular Weight520.19 g/mol
Exact Mass517.99
IUPAC Name[2-chloro-5-(3-chlorophenyl)-5-oxopentanoyl] 2-chloro-5-(3-chlorophenyl)-5-oxopentaneperoxoate
SMILESO=C(CCC(Cl)C(=O)OOC(=O)C(Cl)CCC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C22H18Cl4O6/c23-15-5-1-3-13(11-15)19(27)9-7-17(25)21(29)31-32-22(30)18(26)8-10-20(28)14-4-2-6-16(24)12-14/h1-6,11-12,17-18H,7-10H2
InChIKeyUJOICSNMAGLWSG-UHFFFAOYSA-N
XLogP5.84
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.19
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze [2-chloro-5-(3-chlorophenyl)-5-oxopentanoyl] 2-chloro-5-(3-chlorophenyl)-5-oxopentaneperoxoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(3-chlorophenyl)-5-oxopentanoyl] 2-chloro-5-(3-chlorophenyl)-5-oxopentaneperoxoate?
The IUPAC name of [2-chloro-5-(3-chlorophenyl)-5-oxopentanoyl] 2-chloro-5-(3-chlorophenyl)-5-oxopentaneperoxoate (CID 172822234) is [2-chloro-5-(3-chlorophenyl)-5-oxopentanoyl] 2-chloro-5-(3-chlorophenyl)-5-oxopentaneperoxoate.
What is the SMILES notation for [2-chloro-5-(3-chlorophenyl)-5-oxopentanoyl] 2-chloro-5-(3-chlorophenyl)-5-oxopentaneperoxoate?
The canonical SMILES for [2-chloro-5-(3-chlorophenyl)-5-oxopentanoyl] 2-chloro-5-(3-chlorophenyl)-5-oxopentaneperoxoate is O=C(CCC(Cl)C(=O)OOC(=O)C(Cl)CCC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of [2-chloro-5-(3-chlorophenyl)-5-oxopentanoyl] 2-chloro-5-(3-chlorophenyl)-5-oxopentaneperoxoate?
The InChIKey is UJOICSNMAGLWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl4O6/c23-15-5-1-3-13(11-15)19(27)9-7-17(25)21(29)31-32-22(30)18(26)8-10-20(28)14-4-2-6-16(24)12-14/h1-6,11-12,17-18H,7-10H2.
What are the key properties of [2-chloro-5-(3-chlorophenyl)-5-oxopentanoyl] 2-chloro-5-(3-chlorophenyl)-5-oxopentaneperoxoate?
[2-chloro-5-(3-chlorophenyl)-5-oxopentanoyl] 2-chloro-5-(3-chlorophenyl)-5-oxopentaneperoxoate has a molecular weight of 520.19 g/mol, XLogP of 5.84, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(3-chlorophenyl)-5-oxopentanoyl] 2-chloro-5-(3-chlorophenyl)-5-oxopentaneperoxoate is sourced from PubChem (CID 172822234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).