dialuminum;oxygen(2-);silicate

Al2O5Si — CID 138394506

IUPACdialuminum;oxygen(2-);silicate
SMILES[Al+3].[Al+3].[O-2].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/2Al.O4Si.O/c;;1-5(2,3)4;/q2*+3;-4;-2
InChIKeyYKTSYUJCYHOUJP-UHFFFAOYSA-N
MW162.04 g/mol
LogP-6.02
Rot. Bonds

About dialuminum;oxygen(2-);silicate

dialuminum;oxygen(2-);silicate (PubChem CID 138394506) has the molecular formula Al2O5Si and a molecular weight of 162.04 g/mol. Its IUPAC name is dialuminum;oxygen(2-);silicate.

Molecular Properties

Compound Namedialuminum;oxygen(2-);silicate
PubChem CID138394506
Molecular FormulaAl2O5Si
Molecular Weight162.04 g/mol
Exact Mass161.91
IUPAC Namedialuminum;oxygen(2-);silicate
SMILES[Al+3].[Al+3].[O-2].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/2Al.O4Si.O/c;;1-5(2,3)4;/q2*+3;-4;-2
InChIKeyYKTSYUJCYHOUJP-UHFFFAOYSA-N
XLogP-6.02
TPSA120.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.04
LogP ≤ 5-6.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 dialuminum;oxygen(2-);silicate?
The IUPAC name of dialuminum;oxygen(2-);silicate (CID 138394506) is dialuminum;oxygen(2-);silicate.
What is the SMILES notation for dialuminum;oxygen(2-);silicate?
The canonical SMILES for dialuminum;oxygen(2-);silicate is [Al+3].[Al+3].[O-2].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of dialuminum;oxygen(2-);silicate?
The InChIKey is YKTSYUJCYHOUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2Al.O4Si.O/c;;1-5(2,3)4;/q2*+3;-4;-2.
What are the key properties of dialuminum;oxygen(2-);silicate?
dialuminum;oxygen(2-);silicate has a molecular weight of 162.04 g/mol, XLogP of -6.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;oxygen(2-);silicate is sourced from PubChem (CID 138394506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).