aluminum;calcium;dioxosilane;bis(oxygen(2-))

AlCaO4Si+ — CID 158896556

IUPACaluminum;calcium;dioxosilane;bis(oxygen(2-))
SMILESO=[Si]=O.[Al+3].[Ca+2].[O-2].[O-2]
InChIInChI=1S/Al.Ca.O2Si.2O/c;;1-3-2;;/q+3;+2;;2*-2
InChIKeyJEXDHAFRQBGFQP-UHFFFAOYSA-N
MW159.14 g/mol
LogP-1.62
Rot. Bonds

About aluminum;calcium;dioxosilane;bis(oxygen(2-))

aluminum;calcium;dioxosilane;bis(oxygen(2-)) (PubChem CID 158896556) has the molecular formula AlCaO4Si+ and a molecular weight of 159.14 g/mol. Its IUPAC name is aluminum;calcium;dioxosilane;bis(oxygen(2-)).

Molecular Properties

Compound Namealuminum;calcium;dioxosilane;bis(oxygen(2-))
PubChem CID158896556
Molecular FormulaAlCaO4Si+
Molecular Weight159.14 g/mol
Exact Mass158.90
IUPAC Namealuminum;calcium;dioxosilane;bis(oxygen(2-))
SMILESO=[Si]=O.[Al+3].[Ca+2].[O-2].[O-2]
InChIInChI=1S/Al.Ca.O2Si.2O/c;;1-3-2;;/q+3;+2;;2*-2
InChIKeyJEXDHAFRQBGFQP-UHFFFAOYSA-N
XLogP-1.62
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 aluminum;calcium;dioxosilane;bis(oxygen(2-))?
The IUPAC name of aluminum;calcium;dioxosilane;bis(oxygen(2-)) (CID 158896556) is aluminum;calcium;dioxosilane;bis(oxygen(2-)).
What is the SMILES notation for aluminum;calcium;dioxosilane;bis(oxygen(2-))?
The canonical SMILES for aluminum;calcium;dioxosilane;bis(oxygen(2-)) is O=[Si]=O.[Al+3].[Ca+2].[O-2].[O-2].
What is the InChIKey of aluminum;calcium;dioxosilane;bis(oxygen(2-))?
The InChIKey is JEXDHAFRQBGFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.O2Si.2O/c;;1-3-2;;/q+3;+2;;2*-2.
What are the key properties of aluminum;calcium;dioxosilane;bis(oxygen(2-))?
aluminum;calcium;dioxosilane;bis(oxygen(2-)) has a molecular weight of 159.14 g/mol, XLogP of -1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;calcium;dioxosilane;bis(oxygen(2-)) is sourced from PubChem (CID 158896556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).