[acetyloxy(triphenyl)-λ5-stibanyl] acetate

C22H21O4Sb — CID 16683106

IUPAC[acetyloxy(triphenyl)-λ5-stibanyl] acetate
SMILESCC(=O)O[Sb](OC(C)=O)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.2C2H4O2.Sb/c3*1-2-4-6-5-3-1;2*1-2(3)4;/h3*1-5H;2*1H3,(H,3,4);/q;;;;;+2/p-2
InChIKeyMPOFCRCFZPKTCF-UHFFFAOYSA-L
MW471.17 g/mol
LogP2.23
Rot. Bonds5

About [acetyloxy(triphenyl)-λ5-stibanyl] acetate

[acetyloxy(triphenyl)-λ5-stibanyl] acetate (PubChem CID 16683106) has the molecular formula C22H21O4Sb and a molecular weight of 471.17 g/mol. Its IUPAC name is [acetyloxy(triphenyl)-λ5-stibanyl] acetate.

Molecular Properties

Compound Name[acetyloxy(triphenyl)-λ5-stibanyl] acetate
PubChem CID16683106
Molecular FormulaC22H21O4Sb
Molecular Weight471.17 g/mol
Exact Mass470.05
IUPAC Name[acetyloxy(triphenyl)-λ5-stibanyl] acetate
SMILESCC(=O)O[Sb](OC(C)=O)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.2C2H4O2.Sb/c3*1-2-4-6-5-3-1;2*1-2(3)4;/h3*1-5H;2*1H3,(H,3,4);/q;;;;;+2/p-2
InChIKeyMPOFCRCFZPKTCF-UHFFFAOYSA-L
XLogP2.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.17
LogP ≤ 52.23
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 [acetyloxy(triphenyl)-λ5-stibanyl] acetate?
The IUPAC name of [acetyloxy(triphenyl)-λ5-stibanyl] acetate (CID 16683106) is [acetyloxy(triphenyl)-λ5-stibanyl] acetate.
What is the SMILES notation for [acetyloxy(triphenyl)-λ5-stibanyl] acetate?
The canonical SMILES for [acetyloxy(triphenyl)-λ5-stibanyl] acetate is CC(=O)O[Sb](OC(C)=O)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [acetyloxy(triphenyl)-λ5-stibanyl] acetate?
The InChIKey is MPOFCRCFZPKTCF-UHFFFAOYSA-L. The full InChI is InChI=1S/3C6H5.2C2H4O2.Sb/c3*1-2-4-6-5-3-1;2*1-2(3)4;/h3*1-5H;2*1H3,(H,3,4);/q;;;;;+2/p-2.
What are the key properties of [acetyloxy(triphenyl)-λ5-stibanyl] acetate?
[acetyloxy(triphenyl)-λ5-stibanyl] acetate has a molecular weight of 471.17 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(triphenyl)-λ5-stibanyl] acetate is sourced from PubChem (CID 16683106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).