dihydroxy(dioxo)chromium;bis(triphenylsilane)

C36H34CrO4Si2 — CID 159722761

IUPACdihydroxy(dioxo)chromium;bis(triphenylsilane)
SMILESO=[Cr](=O)(O)O.c1ccc([SiH](c2ccccc2)c2ccccc2)cc1.c1ccc([SiH](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H16Si.Cr.2H2O.2O/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;/h2*1-15,19H;;2*1H2;;/q;;+2;;;;/p-2
InChIKeyHSEFWEZLKUYBON-UHFFFAOYSA-L
MW638.83 g/mol
LogP2.52
Rot. Bonds6

About dihydroxy(dioxo)chromium;bis(triphenylsilane)

dihydroxy(dioxo)chromium;bis(triphenylsilane) (PubChem CID 159722761) has the molecular formula C36H34CrO4Si2 and a molecular weight of 638.83 g/mol. Its IUPAC name is dihydroxy(dioxo)chromium;bis(triphenylsilane).

Molecular Properties

Compound Namedihydroxy(dioxo)chromium;bis(triphenylsilane)
PubChem CID159722761
Molecular FormulaC36H34CrO4Si2
Molecular Weight638.83 g/mol
Exact Mass638.14
IUPAC Namedihydroxy(dioxo)chromium;bis(triphenylsilane)
SMILESO=[Cr](=O)(O)O.c1ccc([SiH](c2ccccc2)c2ccccc2)cc1.c1ccc([SiH](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H16Si.Cr.2H2O.2O/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;/h2*1-15,19H;;2*1H2;;/q;;+2;;;;/p-2
InChIKeyHSEFWEZLKUYBON-UHFFFAOYSA-L
XLogP2.52
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.83
LogP ≤ 52.52
H-Bond Donors ≤ 52
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 dihydroxy(dioxo)chromium;bis(triphenylsilane)?
The IUPAC name of dihydroxy(dioxo)chromium;bis(triphenylsilane) (CID 159722761) is dihydroxy(dioxo)chromium;bis(triphenylsilane).
What is the SMILES notation for dihydroxy(dioxo)chromium;bis(triphenylsilane)?
The canonical SMILES for dihydroxy(dioxo)chromium;bis(triphenylsilane) is O=[Cr](=O)(O)O.c1ccc([SiH](c2ccccc2)c2ccccc2)cc1.c1ccc([SiH](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dihydroxy(dioxo)chromium;bis(triphenylsilane)?
The InChIKey is HSEFWEZLKUYBON-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H16Si.Cr.2H2O.2O/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;/h2*1-15,19H;;2*1H2;;/q;;+2;;;;/p-2.
What are the key properties of dihydroxy(dioxo)chromium;bis(triphenylsilane)?
dihydroxy(dioxo)chromium;bis(triphenylsilane) has a molecular weight of 638.83 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(dioxo)chromium;bis(triphenylsilane) is sourced from PubChem (CID 159722761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).