chromium(2+);bis(oxido(triphenyl)silane);dihydrate

C36H34CrO4Si2 — CID 102059955

IUPACchromium(2+);bis(oxido(triphenyl)silane);dihydrate
SMILESO.O.[Cr+2].[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C18H15OSi.Cr.2H2O/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;;2*1H2/q2*-1;+2;;
InChIKeyVYQXSBLHPWPXGL-UHFFFAOYSA-N
MW638.83 g/mol
LogP0.38
Rot. Bonds6

About chromium(2+);bis(oxido(triphenyl)silane);dihydrate

chromium(2+);bis(oxido(triphenyl)silane);dihydrate (PubChem CID 102059955) has the molecular formula C36H34CrO4Si2 and a molecular weight of 638.83 g/mol. Its IUPAC name is chromium(2+);bis(oxido(triphenyl)silane);dihydrate.

Molecular Properties

Compound Namechromium(2+);bis(oxido(triphenyl)silane);dihydrate
PubChem CID102059955
Molecular FormulaC36H34CrO4Si2
Molecular Weight638.83 g/mol
Exact Mass638.14
IUPAC Namechromium(2+);bis(oxido(triphenyl)silane);dihydrate
SMILESO.O.[Cr+2].[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C18H15OSi.Cr.2H2O/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;;2*1H2/q2*-1;+2;;
InChIKeyVYQXSBLHPWPXGL-UHFFFAOYSA-N
XLogP0.38
TPSA109.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.83
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chromium(2+);bis(oxido(triphenyl)silane);dihydrate?
The IUPAC name of chromium(2+);bis(oxido(triphenyl)silane);dihydrate (CID 102059955) is chromium(2+);bis(oxido(triphenyl)silane);dihydrate.
What is the SMILES notation for chromium(2+);bis(oxido(triphenyl)silane);dihydrate?
The canonical SMILES for chromium(2+);bis(oxido(triphenyl)silane);dihydrate is O.O.[Cr+2].[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of chromium(2+);bis(oxido(triphenyl)silane);dihydrate?
The InChIKey is VYQXSBLHPWPXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15OSi.Cr.2H2O/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;;2*1H2/q2*-1;+2;;.
What are the key properties of chromium(2+);bis(oxido(triphenyl)silane);dihydrate?
chromium(2+);bis(oxido(triphenyl)silane);dihydrate has a molecular weight of 638.83 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);bis(oxido(triphenyl)silane);dihydrate is sourced from PubChem (CID 102059955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).