dicalcium;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide;pentahydrate

C4H24Ca2Hf2O9Si2 — CID 21018194

IUPACdicalcium;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide;pentahydrate
SMILESC[Si](C)([O-])[Si](C)(C)[O-].O.O.O.O.O.[Ca+2].[Ca+2].[Hf].[Hf].[OH-].[OH-]
InChIInChI=1S/C4H12O2Si2.2Ca.2Hf.7H2O/c1-7(2,5)8(3,4)6;;;;;;;;;;;/h1-4H3;;;;;7*1H2/q-2;2*+2;;;;;;;;;/p-2
InChIKeyDCHYPRMURSZBME-UHFFFAOYSA-L
MW709.53 g/mol
LogP-6.05
Rot. Bonds1

About dicalcium;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide;pentahydrate

dicalcium;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide;pentahydrate (PubChem CID 21018194) has the molecular formula C4H24Ca2Hf2O9Si2 and a molecular weight of 709.53 g/mol. Its IUPAC name is dicalcium;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide;pentahydrate.

Molecular Properties

Compound Namedicalcium;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide;pentahydrate
PubChem CID21018194
Molecular FormulaC4H24Ca2Hf2O9Si2
Molecular Weight709.53 g/mol
Exact Mass711.91
IUPAC Namedicalcium;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide;pentahydrate
SMILESC[Si](C)([O-])[Si](C)(C)[O-].O.O.O.O.O.[Ca+2].[Ca+2].[Hf].[Hf].[OH-].[OH-]
InChIInChI=1S/C4H12O2Si2.2Ca.2Hf.7H2O/c1-7(2,5)8(3,4)6;;;;;;;;;;;/h1-4H3;;;;;7*1H2/q-2;2*+2;;;;;;;;;/p-2
InChIKeyDCHYPRMURSZBME-UHFFFAOYSA-L
XLogP-6.05
TPSA263.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500709.53
LogP ≤ 5-6.05
H-Bond Donors ≤ 50
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 dicalcium;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide;pentahydrate?
The IUPAC name of dicalcium;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide;pentahydrate (CID 21018194) is dicalcium;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide;pentahydrate.
What is the SMILES notation for dicalcium;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide;pentahydrate?
The canonical SMILES for dicalcium;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide;pentahydrate is C[Si](C)([O-])[Si](C)(C)[O-].O.O.O.O.O.[Ca+2].[Ca+2].[Hf].[Hf].[OH-].[OH-].
What is the InChIKey of dicalcium;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide;pentahydrate?
The InChIKey is DCHYPRMURSZBME-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H12O2Si2.2Ca.2Hf.7H2O/c1-7(2,5)8(3,4)6;;;;;;;;;;;/h1-4H3;;;;;7*1H2/q-2;2*+2;;;;;;;;;/p-2.
What are the key properties of dicalcium;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide;pentahydrate?
dicalcium;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide;pentahydrate has a molecular weight of 709.53 g/mol, XLogP of -6.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide;pentahydrate is sourced from PubChem (CID 21018194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).