(dioxo-λ5-stibanyl)oxy-ethyl-triphenyl-λ5-phosphane

C20H20O3PSb — CID 140520987

IUPAC(dioxo-λ5-stibanyl)oxy-ethyl-triphenyl-λ5-phosphane
SMILESCCP(O[Sb](=O)=O)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20OP.2O.Sb/c1-2-22(21,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;/h3-17H,2H2,1H3;;;/q-1;;;+1
InChIKeyXNCQNOMJFKTGIT-UHFFFAOYSA-N
MW461.11 g/mol
LogP3.31
Rot. Bonds6

About (dioxo-λ5-stibanyl)oxy-ethyl-triphenyl-λ5-phosphane

(dioxo-λ5-stibanyl)oxy-ethyl-triphenyl-λ5-phosphane (PubChem CID 140520987) has the molecular formula C20H20O3PSb and a molecular weight of 461.11 g/mol. Its IUPAC name is (dioxo-λ5-stibanyl)oxy-ethyl-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name(dioxo-λ5-stibanyl)oxy-ethyl-triphenyl-λ5-phosphane
PubChem CID140520987
Molecular FormulaC20H20O3PSb
Molecular Weight461.11 g/mol
Exact Mass460.02
IUPAC Name(dioxo-λ5-stibanyl)oxy-ethyl-triphenyl-λ5-phosphane
SMILESCCP(O[Sb](=O)=O)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20OP.2O.Sb/c1-2-22(21,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;/h3-17H,2H2,1H3;;;/q-1;;;+1
InChIKeyXNCQNOMJFKTGIT-UHFFFAOYSA-N
XLogP3.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.11
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (dioxo-λ5-stibanyl)oxy-ethyl-triphenyl-λ5-phosphane?
The IUPAC name of (dioxo-λ5-stibanyl)oxy-ethyl-triphenyl-λ5-phosphane (CID 140520987) is (dioxo-λ5-stibanyl)oxy-ethyl-triphenyl-λ5-phosphane.
What is the SMILES notation for (dioxo-λ5-stibanyl)oxy-ethyl-triphenyl-λ5-phosphane?
The canonical SMILES for (dioxo-λ5-stibanyl)oxy-ethyl-triphenyl-λ5-phosphane is CCP(O[Sb](=O)=O)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (dioxo-λ5-stibanyl)oxy-ethyl-triphenyl-λ5-phosphane?
The InChIKey is XNCQNOMJFKTGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20OP.2O.Sb/c1-2-22(21,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;/h3-17H,2H2,1H3;;;/q-1;;;+1.
What are the key properties of (dioxo-λ5-stibanyl)oxy-ethyl-triphenyl-λ5-phosphane?
(dioxo-λ5-stibanyl)oxy-ethyl-triphenyl-λ5-phosphane has a molecular weight of 461.11 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (dioxo-λ5-stibanyl)oxy-ethyl-triphenyl-λ5-phosphane is sourced from PubChem (CID 140520987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).