aluminum;calcium;silicate

AlCaO4Si+ — CID 19816591

IUPACaluminum;calcium;silicate
SMILES[Al+3].[Ca+2].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/Al.Ca.O4Si/c;;1-5(2,3)4/q+3;+2;-4
InChIKeyCXBNNBDNRMMOJJ-UHFFFAOYSA-N
MW159.14 g/mol
LogP-5.90
Rot. Bonds

About aluminum;calcium;silicate

aluminum;calcium;silicate (PubChem CID 19816591) has the molecular formula AlCaO4Si+ and a molecular weight of 159.14 g/mol. Its IUPAC name is aluminum;calcium;silicate.

Molecular Properties

Compound Namealuminum;calcium;silicate
PubChem CID19816591
Molecular FormulaAlCaO4Si+
Molecular Weight159.14 g/mol
Exact Mass158.90
IUPAC Namealuminum;calcium;silicate
SMILES[Al+3].[Ca+2].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/Al.Ca.O4Si/c;;1-5(2,3)4/q+3;+2;-4
InChIKeyCXBNNBDNRMMOJJ-UHFFFAOYSA-N
XLogP-5.90
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-5.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze aluminum;calcium;silicate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of aluminum;calcium;silicate?
The IUPAC name of aluminum;calcium;silicate (CID 19816591) is aluminum;calcium;silicate.
What is the SMILES notation for aluminum;calcium;silicate?
The canonical SMILES for aluminum;calcium;silicate is [Al+3].[Ca+2].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of aluminum;calcium;silicate?
The InChIKey is CXBNNBDNRMMOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.O4Si/c;;1-5(2,3)4/q+3;+2;-4.
What are the key properties of aluminum;calcium;silicate?
aluminum;calcium;silicate has a molecular weight of 159.14 g/mol, XLogP of -5.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;calcium;silicate is sourced from PubChem (CID 19816591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).