aluminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+)

AlCaFeO12Si4 — CID 173301986

IUPACaluminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+)
SMILESO=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Al+3].[Ca+2].[Fe+3]
InChIInChI=1S/Al.Ca.Fe.4O3Si/c;;;4*1-4(2)3/q+3;+2;+3;4*-2
InChIKeyJICXOJKSARLLKX-UHFFFAOYSA-N
MW427.24 g/mol
LogP-12.27
Rot. Bonds

About aluminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+)

aluminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+) (PubChem CID 173301986) has the molecular formula AlCaFeO12Si4 and a molecular weight of 427.24 g/mol. Its IUPAC name is aluminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+).

Molecular Properties

Compound Namealuminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+)
PubChem CID173301986
Molecular FormulaAlCaFeO12Si4
Molecular Weight427.24 g/mol
Exact Mass426.73
IUPAC Namealuminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+)
SMILESO=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Al+3].[Ca+2].[Fe+3]
InChIInChI=1S/Al.Ca.Fe.4O3Si/c;;;4*1-4(2)3/q+3;+2;+3;4*-2
InChIKeyJICXOJKSARLLKX-UHFFFAOYSA-N
XLogP-12.27
TPSA252.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.24
LogP ≤ 5-12.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

CID 23043455
CID 23043455
dicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+))
CID 173371231
beryllium;calcium;dioxido(oxo)silane
CID 18615796
aluminum;dioxido(oxo)silane;iron(2+)
CID 18769561
dialuminum;dizinc;pentakis(dioxido(oxo)silane)
CID 6452652
tricalcium;bis(dioxido(oxo)silane);hydride
CID 22138181
trialuminum;trimagnesium;trizinc;decakis(dioxido(oxo)silane);tris(iron(3+));decahydroxide
CID 173155021
CID 22495127
CID 22495127
dicalcium;disodium;dioxido(oxo)silane;hydride
CID 173147864
aluminum;bismuth;dimagnesium;dioxido(oxo)silane
CID 23369172
calcium;barium(2+);dioxido(oxo)silane;hydride
CID 173168484
aluminum;magnesium;sodium;dioxido(oxo)silane
CID 22348496

Frequently Asked Questions

What is the IUPAC name of aluminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+)?
The IUPAC name of aluminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+) (CID 173301986) is aluminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+).
What is the SMILES notation for aluminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+)?
The canonical SMILES for aluminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+) is O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Al+3].[Ca+2].[Fe+3].
What is the InChIKey of aluminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+)?
The InChIKey is JICXOJKSARLLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.Fe.4O3Si/c;;;4*1-4(2)3/q+3;+2;+3;4*-2.
What are the key properties of aluminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+)?
aluminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+) has a molecular weight of 427.24 g/mol, XLogP of -12.27, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+) is sourced from PubChem (CID 173301986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).