tetrakis(ethenoxy-oxido-oxophosphanium);zirconium(4+)

C8H12O12P4Zr+4 — CID 166451765

IUPACtetrakis(ethenoxy-oxido-oxophosphanium);zirconium(4+)
SMILESC=CO[P+](=O)[O-].C=CO[P+](=O)[O-].C=CO[P+](=O)[O-].C=CO[P+](=O)[O-].[Zr+4]
InChIInChI=1S/4C2H3O3P.Zr/c4*1-2-5-6(3)4;/h4*2H,1H2;/q;;;;+4
InChIKeyCSMFJXBDLIMZLX-UHFFFAOYSA-N
MW515.29 g/mol
LogP0.65
Rot. Bonds8

About tetrakis(ethenoxy-oxido-oxophosphanium);zirconium(4+)

tetrakis(ethenoxy-oxido-oxophosphanium);zirconium(4+) (PubChem CID 166451765) has the molecular formula C8H12O12P4Zr+4 and a molecular weight of 515.29 g/mol. Its IUPAC name is tetrakis(ethenoxy-oxido-oxophosphanium);zirconium(4+).

Molecular Properties

Compound Nametetrakis(ethenoxy-oxido-oxophosphanium);zirconium(4+)
PubChem CID166451765
Molecular FormulaC8H12O12P4Zr+4
Molecular Weight515.29 g/mol
Exact Mass513.83
IUPAC Nametetrakis(ethenoxy-oxido-oxophosphanium);zirconium(4+)
SMILESC=CO[P+](=O)[O-].C=CO[P+](=O)[O-].C=CO[P+](=O)[O-].C=CO[P+](=O)[O-].[Zr+4]
InChIInChI=1S/4C2H3O3P.Zr/c4*1-2-5-6(3)4;/h4*2H,1H2;/q;;;;+4
InChIKeyCSMFJXBDLIMZLX-UHFFFAOYSA-N
XLogP0.65
TPSA197.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.29
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

decyl(triethyl)azanium;ethenoxy-oxido-oxophosphanium
CID 174475382
ethenoxy-hydroxy-oxophosphanium
CID 6328071
chloro-ethenoxy-oxophosphanium
CID 87697866
acetylene;ethenoxy-hydroxy-oxophosphanium
CID 175157956
butane;ethenoxy-hydroxy-oxophosphanium
CID 87195641
ethenoxy-methoxycarbonyl-oxophosphanium
CID 130463703
carbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+))
CID 174768378
dioxido(oxo)phosphanium;ethene
CID 19438484
calcium oxido-oxo-phosphooxyphosphanium
CID 172778798
magnesium oxido-oxo-phosphooxyphosphanium
CID 158072289
tris(oxido-oxo-phosphooxyphosphanium);bis(rhodium(3+))
CID 175590921
[4-chloro-2-(2-chloroethyl)but-1-enoxy]-oxido-oxophosphanium
CID 57346893

Frequently Asked Questions

What is the IUPAC name of tetrakis(ethenoxy-oxido-oxophosphanium);zirconium(4+)?
The IUPAC name of tetrakis(ethenoxy-oxido-oxophosphanium);zirconium(4+) (CID 166451765) is tetrakis(ethenoxy-oxido-oxophosphanium);zirconium(4+).
What is the SMILES notation for tetrakis(ethenoxy-oxido-oxophosphanium);zirconium(4+)?
The canonical SMILES for tetrakis(ethenoxy-oxido-oxophosphanium);zirconium(4+) is C=CO[P+](=O)[O-].C=CO[P+](=O)[O-].C=CO[P+](=O)[O-].C=CO[P+](=O)[O-].[Zr+4].
What is the InChIKey of tetrakis(ethenoxy-oxido-oxophosphanium);zirconium(4+)?
The InChIKey is CSMFJXBDLIMZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H3O3P.Zr/c4*1-2-5-6(3)4;/h4*2H,1H2;/q;;;;+4.
What are the key properties of tetrakis(ethenoxy-oxido-oxophosphanium);zirconium(4+)?
tetrakis(ethenoxy-oxido-oxophosphanium);zirconium(4+) has a molecular weight of 515.29 g/mol, XLogP of 0.65, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(ethenoxy-oxido-oxophosphanium);zirconium(4+) is sourced from PubChem (CID 166451765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).