calcium;sodium;dioxosilane;oxygen(2-);hydroxide

HCaNaO4Si — CID 172815195

IUPACcalcium;sodium;dioxosilane;oxygen(2-);hydroxide
SMILESO=[Si]=O.[Ca+2].[Na+].[O-2].[OH-]
InChIInChI=1S/Ca.Na.O2Si.H2O.O/c;;1-3-2;;/h;;;1H2;/q+2;+1;;;-2/p-1
InChIKeySSHFKIYACGNBJU-UHFFFAOYSA-M
MW156.16 g/mol
LogP-4.29
Rot. Bonds

About calcium;sodium;dioxosilane;oxygen(2-);hydroxide

calcium;sodium;dioxosilane;oxygen(2-);hydroxide (PubChem CID 172815195) has the molecular formula HCaNaO4Si and a molecular weight of 156.16 g/mol. Its IUPAC name is calcium;sodium;dioxosilane;oxygen(2-);hydroxide.

Molecular Properties

Compound Namecalcium;sodium;dioxosilane;oxygen(2-);hydroxide
PubChem CID172815195
Molecular FormulaHCaNaO4Si
Molecular Weight156.16 g/mol
Exact Mass155.92
IUPAC Namecalcium;sodium;dioxosilane;oxygen(2-);hydroxide
SMILESO=[Si]=O.[Ca+2].[Na+].[O-2].[OH-]
InChIInChI=1S/Ca.Na.O2Si.H2O.O/c;;1-3-2;;/h;;;1H2;/q+2;+1;;;-2/p-1
InChIKeySSHFKIYACGNBJU-UHFFFAOYSA-M
XLogP-4.29
TPSA92.64 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-4.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Calcium silicate hydrate
CID 21910000
Sodium trihydrogen orthosilicate
CID 159884681
Beidellite
CID 6367228
Hillebrandite
CID 129628152
Na Ca (Si O3 (O H))
CID 139046834
Calcium orthosilicate hydrate (2:1:1)
CID 44154858
Sodium hydrogen silicate hydrate
CID 132493899
CID 170839427
CID 170839427
CID 170851095
CID 170851095
Calcium;sodium;hydroxy(trioxido)silane
CID 14440381
Calcium;sodium;dihydroxy(dioxido)silane;fluoride
CID 86173907
Monocalcium silicate
CID 86585631

Frequently Asked Questions

What is the IUPAC name of calcium;sodium;dioxosilane;oxygen(2-);hydroxide?
The IUPAC name of calcium;sodium;dioxosilane;oxygen(2-);hydroxide (CID 172815195) is calcium;sodium;dioxosilane;oxygen(2-);hydroxide.
What is the SMILES notation for calcium;sodium;dioxosilane;oxygen(2-);hydroxide?
The canonical SMILES for calcium;sodium;dioxosilane;oxygen(2-);hydroxide is O=[Si]=O.[Ca+2].[Na+].[O-2].[OH-].
What is the InChIKey of calcium;sodium;dioxosilane;oxygen(2-);hydroxide?
The InChIKey is SSHFKIYACGNBJU-UHFFFAOYSA-M. The full InChI is InChI=1S/Ca.Na.O2Si.H2O.O/c;;1-3-2;;/h;;;1H2;/q+2;+1;;;-2/p-1.
What are the key properties of calcium;sodium;dioxosilane;oxygen(2-);hydroxide?
calcium;sodium;dioxosilane;oxygen(2-);hydroxide has a molecular weight of 156.16 g/mol, XLogP of -4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sodium;dioxosilane;oxygen(2-);hydroxide is sourced from PubChem (CID 172815195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).