hexakis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);uranium;hydrate

C72H170O25Si6U2 — CID 134814688

IUPAChexakis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);uranium;hydrate
SMILESCC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.O.[U].[U]
InChIInChI=1S/6C12H28O4Si.H2O.2U/c6*1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9;;;/h6*13H,1-9H3;1H2;;
InChIKeyMPCJKJZEZTXLDI-UHFFFAOYSA-N
MW2080.70 g/mol
LogP16.33
Rot. Bonds18

About hexakis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);uranium;hydrate

hexakis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);uranium;hydrate (PubChem CID 134814688) has the molecular formula C72H170O25Si6U2 and a molecular weight of 2080.70 g/mol. Its IUPAC name is hexakis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);uranium;hydrate.

Molecular Properties

Compound Namehexakis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);uranium;hydrate
PubChem CID134814688
Molecular FormulaC72H170O25Si6U2
Molecular Weight2080.70 g/mol
Exact Mass2079.17
IUPAC Namehexakis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);uranium;hydrate
SMILESCC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.O.[U].[U]
InChIInChI=1S/6C12H28O4Si.H2O.2U/c6*1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9;;;/h6*13H,1-9H3;1H2;;
InChIKeyMPCJKJZEZTXLDI-UHFFFAOYSA-N
XLogP16.33
TPSA319.02 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002080.70
LogP ≤ 516.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

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 hexakis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);uranium;hydrate?
The IUPAC name of hexakis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);uranium;hydrate (CID 134814688) is hexakis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);uranium;hydrate.
What is the SMILES notation for hexakis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);uranium;hydrate?
The canonical SMILES for hexakis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);uranium;hydrate is CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C.O.[U].[U].
What is the InChIKey of hexakis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);uranium;hydrate?
The InChIKey is MPCJKJZEZTXLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/6C12H28O4Si.H2O.2U/c6*1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9;;;/h6*13H,1-9H3;1H2;;.
What are the key properties of hexakis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);uranium;hydrate?
hexakis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);uranium;hydrate has a molecular weight of 2080.70 g/mol, XLogP of 16.33, 18 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(hydroxy-tris[(2-methylpropan-2-yl)oxy]silane);uranium;hydrate is sourced from PubChem (CID 134814688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).