[(2,2-dibromoacetyl)oxy-triphenyl-λ5-stibanyl] 2,2-dibromoacetate

C22H17Br4O4Sb — CID 16683779

IUPAC[(2,2-dibromoacetyl)oxy-triphenyl-λ5-stibanyl] 2,2-dibromoacetate
SMILESO=C(O[Sb](OC(=O)C(Br)Br)(c1ccccc1)(c1ccccc1)c1ccccc1)C(Br)Br
InChIInChI=1S/3C6H5.2C2H2Br2O2.Sb/c3*1-2-4-6-5-3-1;2*3-1(4)2(5)6;/h3*1-5H;2*1H,(H,5,6);/q;;;;;+2/p-2
InChIKeyGRQPZJFILGOLTJ-UHFFFAOYSA-L
MW786.75 g/mol
LogP4.42
Rot. Bonds7

About [(2,2-dibromoacetyl)oxy-triphenyl-λ5-stibanyl] 2,2-dibromoacetate

[(2,2-dibromoacetyl)oxy-triphenyl-λ5-stibanyl] 2,2-dibromoacetate (PubChem CID 16683779) has the molecular formula C22H17Br4O4Sb and a molecular weight of 786.75 g/mol. Its IUPAC name is [(2,2-dibromoacetyl)oxy-triphenyl-λ5-stibanyl] 2,2-dibromoacetate.

Molecular Properties

Compound Name[(2,2-dibromoacetyl)oxy-triphenyl-λ5-stibanyl] 2,2-dibromoacetate
PubChem CID16683779
Molecular FormulaC22H17Br4O4Sb
Molecular Weight786.75 g/mol
Exact Mass781.69
IUPAC Name[(2,2-dibromoacetyl)oxy-triphenyl-λ5-stibanyl] 2,2-dibromoacetate
SMILESO=C(O[Sb](OC(=O)C(Br)Br)(c1ccccc1)(c1ccccc1)c1ccccc1)C(Br)Br
InChIInChI=1S/3C6H5.2C2H2Br2O2.Sb/c3*1-2-4-6-5-3-1;2*3-1(4)2(5)6;/h3*1-5H;2*1H,(H,5,6);/q;;;;;+2/p-2
InChIKeyGRQPZJFILGOLTJ-UHFFFAOYSA-L
XLogP4.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500786.75
LogP ≤ 54.42
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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Related Compounds

[(2-chloroacetyl)oxy-triphenyl-λ5-stibanyl] 2-chloroacetate
CID 16683776
2-bromo-3-phenylbutanedioic acid
CID 18967008
(3-methyl-2-phenylbutanoyl) 3-methyl-2-phenylbutaneperoxoate
CID 18381033
2-bromo-2-phenylethaneperoxoic acid
CID 121326341
2-bromo-2-[2-(1-bromo-2-methoxy-2-oxoethyl)phenyl]acetic acid
CID 54556282
(5-phenyl-2-azabicyclo[2.2.1]heptan-5-yl) 2,2-dibromoacetate
CID 162508145
phenyl 2-bromo-2-chloroacetate
CID 174609883
2-bromo-2-triphenylstannylacetic acid
CID 88694494
(tetraphenyl-λ5-stibanyl) acetate
CID 16699436
2-bromo-3-oxo-3-(2-phenylethoxy)propanoic acid
CID 88766857
methyl (2S,3S)-2-bromo-3-formyloxy-3-phenylpropanoate
CID 138982221
methyl (2R,3R)-2,3-dibromo-3-phenylpropanoate
CID 6994239

Frequently Asked Questions

What is the IUPAC name of [(2,2-dibromoacetyl)oxy-triphenyl-λ5-stibanyl] 2,2-dibromoacetate?
The IUPAC name of [(2,2-dibromoacetyl)oxy-triphenyl-λ5-stibanyl] 2,2-dibromoacetate (CID 16683779) is [(2,2-dibromoacetyl)oxy-triphenyl-λ5-stibanyl] 2,2-dibromoacetate.
What is the SMILES notation for [(2,2-dibromoacetyl)oxy-triphenyl-λ5-stibanyl] 2,2-dibromoacetate?
The canonical SMILES for [(2,2-dibromoacetyl)oxy-triphenyl-λ5-stibanyl] 2,2-dibromoacetate is O=C(O[Sb](OC(=O)C(Br)Br)(c1ccccc1)(c1ccccc1)c1ccccc1)C(Br)Br.
What is the InChIKey of [(2,2-dibromoacetyl)oxy-triphenyl-λ5-stibanyl] 2,2-dibromoacetate?
The InChIKey is GRQPZJFILGOLTJ-UHFFFAOYSA-L. The full InChI is InChI=1S/3C6H5.2C2H2Br2O2.Sb/c3*1-2-4-6-5-3-1;2*3-1(4)2(5)6;/h3*1-5H;2*1H,(H,5,6);/q;;;;;+2/p-2.
What are the key properties of [(2,2-dibromoacetyl)oxy-triphenyl-λ5-stibanyl] 2,2-dibromoacetate?
[(2,2-dibromoacetyl)oxy-triphenyl-λ5-stibanyl] 2,2-dibromoacetate has a molecular weight of 786.75 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,2-dibromoacetyl)oxy-triphenyl-λ5-stibanyl] 2,2-dibromoacetate is sourced from PubChem (CID 16683779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).