calcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate

C8H8CaO9Si2 — CID 69417333

IUPACcalcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate
SMILESO.O=[Si]([O-])Oc1ccco1.O=[Si]([O-])Oc1ccco1.[Ca+2]
InChIInChI=1S/2C4H3O4Si.Ca.H2O/c2*5-9(6)8-4-2-1-3-7-4;;/h2*1-3H;;1H2/q2*-1;+2;
InChIKeyUIFMOGRWDHRKDB-UHFFFAOYSA-N
MW344.39 g/mol
LogP-2.34
Rot. Bonds4

About calcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate

calcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate (PubChem CID 69417333) has the molecular formula C8H8CaO9Si2 and a molecular weight of 344.39 g/mol. Its IUPAC name is calcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate.

Molecular Properties

Compound Namecalcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate
PubChem CID69417333
Molecular FormulaC8H8CaO9Si2
Molecular Weight344.39 g/mol
Exact Mass343.93
IUPAC Namecalcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate
SMILESO.O=[Si]([O-])Oc1ccco1.O=[Si]([O-])Oc1ccco1.[Ca+2]
InChIInChI=1S/2C4H3O4Si.Ca.H2O/c2*5-9(6)8-4-2-1-3-7-4;;/h2*1-3H;;1H2/q2*-1;+2;
InChIKeyUIFMOGRWDHRKDB-UHFFFAOYSA-N
XLogP-2.34
TPSA156.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 5-2.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze calcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate 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 calcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate?
The IUPAC name of calcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate (CID 69417333) is calcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate.
What is the SMILES notation for calcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate?
The canonical SMILES for calcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate is O.O=[Si]([O-])Oc1ccco1.O=[Si]([O-])Oc1ccco1.[Ca+2].
What is the InChIKey of calcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate?
The InChIKey is UIFMOGRWDHRKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H3O4Si.Ca.H2O/c2*5-9(6)8-4-2-1-3-7-4;;/h2*1-3H;;1H2/q2*-1;+2;.
What are the key properties of calcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate?
calcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate has a molecular weight of 344.39 g/mol, XLogP of -2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;bis(furan-2-yloxy-oxido-oxosilane);hydrate is sourced from PubChem (CID 69417333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).