dicalcium;oxocalcium;silicate

Ca3O5Si — CID 25523

IUPACdicalcium;oxocalcium;silicate
SMILESO=[Ca].[Ca+2].[Ca+2].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/3Ca.O4Si.O/c;;;1-5(2,3)4;/q;2*+2;-4;
InChIKeyBCAARMUWIRURQS-UHFFFAOYSA-N
MW228.31 g/mol
LogP-6.40
Rot. Bonds

About dicalcium;oxocalcium;silicate

dicalcium;oxocalcium;silicate (PubChem CID 25523) has the molecular formula Ca3O5Si and a molecular weight of 228.31 g/mol. Its IUPAC name is dicalcium;oxocalcium;silicate.

Molecular Properties

Compound Namedicalcium;oxocalcium;silicate
PubChem CID25523
Molecular FormulaCa3O5Si
Molecular Weight228.31 g/mol
Exact Mass227.84
IUPAC Namedicalcium;oxocalcium;silicate
SMILESO=[Ca].[Ca+2].[Ca+2].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/3Ca.O4Si.O/c;;;1-5(2,3)4;/q;2*+2;-4;
InChIKeyBCAARMUWIRURQS-UHFFFAOYSA-N
XLogP-6.40
TPSA109.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 5-6.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
CID 56973721
CID 56973721
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 dicalcium;oxocalcium;silicate?
The IUPAC name of dicalcium;oxocalcium;silicate (CID 25523) is dicalcium;oxocalcium;silicate.
What is the SMILES notation for dicalcium;oxocalcium;silicate?
The canonical SMILES for dicalcium;oxocalcium;silicate is O=[Ca].[Ca+2].[Ca+2].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of dicalcium;oxocalcium;silicate?
The InChIKey is BCAARMUWIRURQS-UHFFFAOYSA-N. The full InChI is InChI=1S/3Ca.O4Si.O/c;;;1-5(2,3)4;/q;2*+2;-4;.
What are the key properties of dicalcium;oxocalcium;silicate?
dicalcium;oxocalcium;silicate has a molecular weight of 228.31 g/mol, XLogP of -6.40, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;oxocalcium;silicate is sourced from PubChem (CID 25523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).