dicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+))

H8Ca2Fe2Mg2O9Si3 — CID 173371231

IUPACdicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+))
SMILESO=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Ca+2].[Ca+2].[Fe+3].[Fe+3].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2]
InChIInChI=1S/2Ca.2Fe.2Mg.3O3Si.8H/c;;;;;;3*1-4(2)3;;;;;;;;/q2*+2;2*+3;2*+2;3*-2;8*-1
InChIKeyIQYNGKMAZURYMB-UHFFFAOYSA-N
MW476.77 g/mol
LogP-9.26
Rot. Bonds

About dicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+))

dicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+)) (PubChem CID 173371231) has the molecular formula H8Ca2Fe2Mg2O9Si3 and a molecular weight of 476.77 g/mol. Its IUPAC name is dicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+)).

Molecular Properties

Compound Namedicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+))
PubChem CID173371231
Molecular FormulaH8Ca2Fe2Mg2O9Si3
Molecular Weight476.77 g/mol
Exact Mass475.71
IUPAC Namedicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+))
SMILESO=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Ca+2].[Ca+2].[Fe+3].[Fe+3].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2]
InChIInChI=1S/2Ca.2Fe.2Mg.3O3Si.8H/c;;;;;;3*1-4(2)3;;;;;;;;/q2*+2;2*+3;2*+2;3*-2;8*-1
InChIKeyIQYNGKMAZURYMB-UHFFFAOYSA-N
XLogP-9.26
TPSA189.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.77
LogP ≤ 5-9.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

tricalcium;bis(dioxido(oxo)silane);hydride
CID 22138181
calcium;barium(2+);dioxido(oxo)silane;hydride
CID 173168484
dicalcium;disodium;dioxido(oxo)silane;hydride
CID 173147864
aluminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+)
CID 173301986
trimagnesium;heptakis(dioxido(oxo)silane);tris(iron(3+));tris(manganese(2+));heptahydroxide
CID 173155086
dimagnesium;pentakis(dioxido(oxo)silane);bis(yttrium(3+))
CID 173409375
magnesium;dioxido(oxo)silane;hydron
CID 22160706
beryllium;calcium;dioxido(oxo)silane
CID 18615796
magnesium;cobalt(2+);bis(dioxido(oxo)silane)
CID 173465252
dilithium;dimagnesium;disodium;dioxido(oxo)silane;hydride;dihydrofluoride
CID 173240490
trialuminum;trimagnesium;trizinc;decakis(dioxido(oxo)silane);tris(iron(3+));decahydroxide
CID 173155021
CID 23043455
CID 23043455

Frequently Asked Questions

What is the IUPAC name of dicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+))?
The IUPAC name of dicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+)) (CID 173371231) is dicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+)).
What is the SMILES notation for dicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+))?
The canonical SMILES for dicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+)) is O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Ca+2].[Ca+2].[Fe+3].[Fe+3].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].
What is the InChIKey of dicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+))?
The InChIKey is IQYNGKMAZURYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ca.2Fe.2Mg.3O3Si.8H/c;;;;;;3*1-4(2)3;;;;;;;;/q2*+2;2*+3;2*+2;3*-2;8*-1.
What are the key properties of dicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+))?
dicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+)) has a molecular weight of 476.77 g/mol, XLogP of -9.26, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+)) is sourced from PubChem (CID 173371231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).