dialuminum;dicalcium;tris(oxygen(2-));silicate

Al2Ca2O7Si — CID 71586947

IUPACdialuminum;dicalcium;tris(oxygen(2-));silicate
SMILES[Al+3].[Al+3].[Ca+2].[Ca+2].[O-2].[O-2].[O-2].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/2Al.2Ca.O4Si.3O/c;;;;1-5(2,3)4;;;/q2*+3;2*+2;-4;3*-2
InChIKeyWMWJKESBRPVNQB-UHFFFAOYSA-N
MW274.20 g/mol
LogP-7.02
Rot. Bonds

About dialuminum;dicalcium;tris(oxygen(2-));silicate

dialuminum;dicalcium;tris(oxygen(2-));silicate (PubChem CID 71586947) has the molecular formula Al2Ca2O7Si and a molecular weight of 274.20 g/mol. Its IUPAC name is dialuminum;dicalcium;tris(oxygen(2-));silicate.

Molecular Properties

Compound Namedialuminum;dicalcium;tris(oxygen(2-));silicate
PubChem CID71586947
Molecular FormulaAl2Ca2O7Si
Molecular Weight274.20 g/mol
Exact Mass273.83
IUPAC Namedialuminum;dicalcium;tris(oxygen(2-));silicate
SMILES[Al+3].[Al+3].[Ca+2].[Ca+2].[O-2].[O-2].[O-2].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/2Al.2Ca.O4Si.3O/c;;;;1-5(2,3)4;;;/q2*+3;2*+2;-4;3*-2
InChIKeyWMWJKESBRPVNQB-UHFFFAOYSA-N
XLogP-7.02
TPSA177.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 5-7.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Aluminum Calcium Sodium Silicate
CID 44144394
Tricalcium silicate
CID 25523
Aluminum Silicates
CID 44144451
Dicalcium silicate
CID 14941
Andalusite (Al2O(SiO4))
CID 138394506
Aluminum calcium oxide silicate (Al2CaO2(SiO4))
CID 72720460
CID 56973721
CID 56973721
Dialuminum;silicate
CID 158296395
Aluminum;calcium;dioxido(oxo)silane
CID 21940880
CID 170847425
CID 170847425
Aluminum;calcium;silicate
CID 19816591
Tricalcium;silicate
CID 20080352

Frequently Asked Questions

What is the IUPAC name of dialuminum;dicalcium;tris(oxygen(2-));silicate?
The IUPAC name of dialuminum;dicalcium;tris(oxygen(2-));silicate (CID 71586947) is dialuminum;dicalcium;tris(oxygen(2-));silicate.
What is the SMILES notation for dialuminum;dicalcium;tris(oxygen(2-));silicate?
The canonical SMILES for dialuminum;dicalcium;tris(oxygen(2-));silicate is [Al+3].[Al+3].[Ca+2].[Ca+2].[O-2].[O-2].[O-2].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of dialuminum;dicalcium;tris(oxygen(2-));silicate?
The InChIKey is WMWJKESBRPVNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/2Al.2Ca.O4Si.3O/c;;;;1-5(2,3)4;;;/q2*+3;2*+2;-4;3*-2.
What are the key properties of dialuminum;dicalcium;tris(oxygen(2-));silicate?
dialuminum;dicalcium;tris(oxygen(2-));silicate has a molecular weight of 274.20 g/mol, XLogP of -7.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;dicalcium;tris(oxygen(2-));silicate is sourced from PubChem (CID 71586947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).