calcium silicate

CaO4Si-2 — CID 56973721

IUPACcalcium silicate
SMILES[Ca+2].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/Ca.O4Si/c;1-5(2,3)4/q+2;-4
InChIKeyWNTUHHDFEFNVBW-UHFFFAOYSA-N
MW132.16 g/mol
LogP-5.52
Rot. Bonds

About calcium silicate

calcium silicate (PubChem CID 56973721) has the molecular formula CaO4Si-2 and a molecular weight of 132.16 g/mol. Its IUPAC name is calcium silicate.

Molecular Properties

Compound Namecalcium silicate
PubChem CID56973721
Molecular FormulaCaO4Si-2
Molecular Weight132.16 g/mol
Exact Mass131.92
IUPAC Namecalcium silicate
SMILES[Ca+2].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/Ca.O4Si/c;1-5(2,3)4/q+2;-4
InChIKeyWNTUHHDFEFNVBW-UHFFFAOYSA-N
XLogP-5.52
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-5.52
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

Tricalcium silicate
CID 25523
Dicalcium silicate
CID 14941
Calcium silicate hydrate
CID 21910000
silicic acid, calcium magnesium salt
CID 21388751
Aluminum calcium oxide silicate (Al2CaO2(SiO4))
CID 72720460
Calcium aluminosilicate (Ca2Al2SiO7)
CID 71586947
Dicalcium bis(dioxido(oxo)silane)
CID 21862910
Hillebrandite
CID 129628152
Calcium orthosilicate hydrate (2:1:1)
CID 44154858
Calcium;zirconium(4+);silicate
CID 57371216
CID 170839427
CID 170839427
CID 170851095
CID 170851095

Frequently Asked Questions

What is the IUPAC name of calcium silicate?
The IUPAC name of calcium silicate (CID 56973721) is calcium silicate.
What is the SMILES notation for calcium silicate?
The canonical SMILES for calcium silicate is [Ca+2].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of calcium silicate?
The InChIKey is WNTUHHDFEFNVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.O4Si/c;1-5(2,3)4/q+2;-4.
What are the key properties of calcium silicate?
calcium silicate has a molecular weight of 132.16 g/mol, XLogP of -5.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium silicate is sourced from PubChem (CID 56973721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).