silylsilane;hexakis(2,2,2-trichloroacetaldehyde)

C12H12Cl18O6Si2 — CID 173161358

IUPACsilylsilane;hexakis(2,2,2-trichloroacetaldehyde)
SMILESO=CC(Cl)(Cl)Cl.O=CC(Cl)(Cl)Cl.O=CC(Cl)(Cl)Cl.O=CC(Cl)(Cl)Cl.O=CC(Cl)(Cl)Cl.O=CC(Cl)(Cl)Cl.[SiH3][SiH3]
InChIInChI=1S/6C2HCl3O.H6Si2/c6*3-2(4,5)1-6;1-2/h6*1H;1-2H3
InChIKeyJDBHFXJJFIFUEC-UHFFFAOYSA-N
MW946.55 g/mol
LogP6.97
Rot. Bonds

About silylsilane;hexakis(2,2,2-trichloroacetaldehyde)

silylsilane;hexakis(2,2,2-trichloroacetaldehyde) (PubChem CID 173161358) has the molecular formula C12H12Cl18O6Si2 and a molecular weight of 946.55 g/mol. Its IUPAC name is silylsilane;hexakis(2,2,2-trichloroacetaldehyde).

Molecular Properties

Compound Namesilylsilane;hexakis(2,2,2-trichloroacetaldehyde)
PubChem CID173161358
Molecular FormulaC12H12Cl18O6Si2
Molecular Weight946.55 g/mol
Exact Mass937.46
IUPAC Namesilylsilane;hexakis(2,2,2-trichloroacetaldehyde)
SMILESO=CC(Cl)(Cl)Cl.O=CC(Cl)(Cl)Cl.O=CC(Cl)(Cl)Cl.O=CC(Cl)(Cl)Cl.O=CC(Cl)(Cl)Cl.O=CC(Cl)(Cl)Cl.[SiH3][SiH3]
InChIInChI=1S/6C2HCl3O.H6Si2/c6*3-2(4,5)1-6;1-2/h6*1H;1-2H3
InChIKeyJDBHFXJJFIFUEC-UHFFFAOYSA-N
XLogP6.97
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.55
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of silylsilane;hexakis(2,2,2-trichloroacetaldehyde)?
The IUPAC name of silylsilane;hexakis(2,2,2-trichloroacetaldehyde) (CID 173161358) is silylsilane;hexakis(2,2,2-trichloroacetaldehyde).
What is the SMILES notation for silylsilane;hexakis(2,2,2-trichloroacetaldehyde)?
The canonical SMILES for silylsilane;hexakis(2,2,2-trichloroacetaldehyde) is O=CC(Cl)(Cl)Cl.O=CC(Cl)(Cl)Cl.O=CC(Cl)(Cl)Cl.O=CC(Cl)(Cl)Cl.O=CC(Cl)(Cl)Cl.O=CC(Cl)(Cl)Cl.[SiH3][SiH3].
What is the InChIKey of silylsilane;hexakis(2,2,2-trichloroacetaldehyde)?
The InChIKey is JDBHFXJJFIFUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/6C2HCl3O.H6Si2/c6*3-2(4,5)1-6;1-2/h6*1H;1-2H3.
What are the key properties of silylsilane;hexakis(2,2,2-trichloroacetaldehyde)?
silylsilane;hexakis(2,2,2-trichloroacetaldehyde) has a molecular weight of 946.55 g/mol, XLogP of 6.97, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for silylsilane;hexakis(2,2,2-trichloroacetaldehyde) is sourced from PubChem (CID 173161358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).