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

C10H32Ca2Hf2O4Si2-6 — CID 21018196

IUPACdicalcium;carbanide;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide
SMILESC[Si](C)([O-])[Si](C)(C)[O-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ca+2].[Ca+2].[Hf].[Hf].[OH-].[OH-]
InChIInChI=1S/C4H12O2Si2.6CH3.2Ca.2Hf.2H2O/c1-7(2,5)8(3,4)6;;;;;;;;;;;;/h1-4H3;6*1H3;;;;;2*1H2/q-2;6*-1;2*+2;;;;/p-2
InChIKeyKJYLJVCMZLNYBB-UHFFFAOYSA-L
MW709.67 g/mol
LogP0.78
Rot. Bonds1

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

dicalcium;carbanide;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide (PubChem CID 21018196) has the molecular formula C10H32Ca2Hf2O4Si2-6 and a molecular weight of 709.67 g/mol. Its IUPAC name is dicalcium;carbanide;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide.

Molecular Properties

Compound Namedicalcium;carbanide;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide
PubChem CID21018196
Molecular FormulaC10H32Ca2Hf2O4Si2-6
Molecular Weight709.67 g/mol
Exact Mass712.01
IUPAC Namedicalcium;carbanide;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide
SMILESC[Si](C)([O-])[Si](C)(C)[O-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ca+2].[Ca+2].[Hf].[Hf].[OH-].[OH-]
InChIInChI=1S/C4H12O2Si2.6CH3.2Ca.2Hf.2H2O/c1-7(2,5)8(3,4)6;;;;;;;;;;;;/h1-4H3;6*1H3;;;;;2*1H2/q-2;6*-1;2*+2;;;;/p-2
InChIKeyKJYLJVCMZLNYBB-UHFFFAOYSA-L
XLogP0.78
TPSA106.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500709.67
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicalcium;carbanide;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide?
The IUPAC name of dicalcium;carbanide;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide (CID 21018196) is dicalcium;carbanide;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide.
What is the SMILES notation for dicalcium;carbanide;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide?
The canonical SMILES for dicalcium;carbanide;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide is C[Si](C)([O-])[Si](C)(C)[O-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ca+2].[Ca+2].[Hf].[Hf].[OH-].[OH-].
What is the InChIKey of dicalcium;carbanide;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide?
The InChIKey is KJYLJVCMZLNYBB-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H12O2Si2.6CH3.2Ca.2Hf.2H2O/c1-7(2,5)8(3,4)6;;;;;;;;;;;;/h1-4H3;6*1H3;;;;;2*1H2/q-2;6*-1;2*+2;;;;/p-2.
What are the key properties of dicalcium;carbanide;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide?
dicalcium;carbanide;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide has a molecular weight of 709.67 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;carbanide;[dimethyl(oxido)silyl]-dimethyl-oxidosilane;hafnium;dihydroxide is sourced from PubChem (CID 21018196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).