tricalcium;bis(dioxido(oxo)silane);hydride

H2Ca3O6Si2 — CID 22138181

IUPACtricalcium;bis(dioxido(oxo)silane);hydride
SMILESO=[Si]([O-])[O-].O=[Si]([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[H-].[H-]
InChIInChI=1S/3Ca.2O3Si.2H/c;;;2*1-4(2)3;;/q3*+2;2*-2;2*-1
InChIKeyNXMSEVQOADMOHF-UHFFFAOYSA-N
MW274.42 g/mol
LogP-6.67
Rot. Bonds

About tricalcium;bis(dioxido(oxo)silane);hydride

tricalcium;bis(dioxido(oxo)silane);hydride (PubChem CID 22138181) has the molecular formula H2Ca3O6Si2 and a molecular weight of 274.42 g/mol. Its IUPAC name is tricalcium;bis(dioxido(oxo)silane);hydride.

Molecular Properties

Compound Nametricalcium;bis(dioxido(oxo)silane);hydride
PubChem CID22138181
Molecular FormulaH2Ca3O6Si2
Molecular Weight274.42 g/mol
Exact Mass273.83
IUPAC Nametricalcium;bis(dioxido(oxo)silane);hydride
SMILESO=[Si]([O-])[O-].O=[Si]([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[H-].[H-]
InChIInChI=1S/3Ca.2O3Si.2H/c;;;2*1-4(2)3;;/q3*+2;2*-2;2*-1
InChIKeyNXMSEVQOADMOHF-UHFFFAOYSA-N
XLogP-6.67
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.42
LogP ≤ 5-6.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

calcium;barium(2+);dioxido(oxo)silane;hydride
CID 173168484
dicalcium;disodium;dioxido(oxo)silane;hydride
CID 173147864
dicalcium;dimagnesium;tris(dioxido(oxo)silane);hydride;bis(iron(3+))
CID 173371231
beryllium;calcium;dioxido(oxo)silane
CID 18615796
aluminum;calcium;tetrakis(dioxido(oxo)silane);iron(3+)
CID 173301986
CID 23043455
CID 23043455
potassium;alumane;tris(dioxido(oxo)silane);hydride
CID 139597229
bis(dioxido(oxo)silane);germanium(4+)
CID 91868461
dioxido(oxo)silane;rhodium(2+)
CID 19598913
dioxido(oxo)silane;niobium(2+)
CID 19104530
bis(dioxido(oxo)silane);molybdenum(4+)
CID 18000361
disodium;dioxido(oxo)silane
CID 23266

Frequently Asked Questions

What is the IUPAC name of tricalcium;bis(dioxido(oxo)silane);hydride?
The IUPAC name of tricalcium;bis(dioxido(oxo)silane);hydride (CID 22138181) is tricalcium;bis(dioxido(oxo)silane);hydride.
What is the SMILES notation for tricalcium;bis(dioxido(oxo)silane);hydride?
The canonical SMILES for tricalcium;bis(dioxido(oxo)silane);hydride is O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[H-].[H-].
What is the InChIKey of tricalcium;bis(dioxido(oxo)silane);hydride?
The InChIKey is NXMSEVQOADMOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/3Ca.2O3Si.2H/c;;;2*1-4(2)3;;/q3*+2;2*-2;2*-1.
What are the key properties of tricalcium;bis(dioxido(oxo)silane);hydride?
tricalcium;bis(dioxido(oxo)silane);hydride has a molecular weight of 274.42 g/mol, XLogP of -6.67, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tricalcium;bis(dioxido(oxo)silane);hydride is sourced from PubChem (CID 22138181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).