calcium dihydroxy(dioxido)silane

H2CaO4Si — CID 86585631

IUPACcalcium dihydroxy(dioxido)silane
SMILES[Ca+2].[O-][Si]([O-])(O)O
InChIInChI=1S/Ca.H2O4Si/c;1-5(2,3)4/h;1-2H/q+2;-2
InChIKeyARHMMDOXGIIARL-UHFFFAOYSA-N
MW134.18 g/mol
LogP-4.25
Rot. Bonds

About calcium dihydroxy(dioxido)silane

calcium dihydroxy(dioxido)silane (PubChem CID 86585631) has the molecular formula H2CaO4Si and a molecular weight of 134.18 g/mol. Its IUPAC name is calcium dihydroxy(dioxido)silane.

Molecular Properties

Compound Namecalcium dihydroxy(dioxido)silane
PubChem CID86585631
Molecular FormulaH2CaO4Si
Molecular Weight134.18 g/mol
Exact Mass133.93
IUPAC Namecalcium dihydroxy(dioxido)silane
SMILES[Ca+2].[O-][Si]([O-])(O)O
InChIInChI=1S/Ca.H2O4Si/c;1-5(2,3)4/h;1-2H/q+2;-2
InChIKeyARHMMDOXGIIARL-UHFFFAOYSA-N
XLogP-4.25
TPSA86.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-4.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of calcium dihydroxy(dioxido)silane?
The IUPAC name of calcium dihydroxy(dioxido)silane (CID 86585631) is calcium dihydroxy(dioxido)silane.
What is the SMILES notation for calcium dihydroxy(dioxido)silane?
The canonical SMILES for calcium dihydroxy(dioxido)silane is [Ca+2].[O-][Si]([O-])(O)O.
What is the InChIKey of calcium dihydroxy(dioxido)silane?
The InChIKey is ARHMMDOXGIIARL-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.H2O4Si/c;1-5(2,3)4/h;1-2H/q+2;-2.
What are the key properties of calcium dihydroxy(dioxido)silane?
calcium dihydroxy(dioxido)silane has a molecular weight of 134.18 g/mol, XLogP of -4.25, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium dihydroxy(dioxido)silane is sourced from PubChem (CID 86585631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).