CID 22836290

C40H60Br2HgSi2+4 — CID 22836290

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[Hg].[Si+2]Br.[Si+2]Br
InChIInChI=1S/4C10H15.2BrSi.Hg/c4*1-6-7(2)9(4)10(5)8(6)3;2*1-2;/h4*1-5H3;;;/q;;;;2*+2;
InChIKeyXZDZFUIXEPWORK-UHFFFAOYSA-N
MW957.49 g/mol
LogP12.81
Rot. Bonds

About CID 22836290

CID 22836290 (PubChem CID 22836290) has the molecular formula C40H60Br2HgSi2+4 and a molecular weight of 957.49 g/mol.

Molecular Properties

Compound NameCID 22836290
PubChem CID22836290
Molecular FormulaC40H60Br2HgSi2+4
Molecular Weight957.49 g/mol
Exact Mass956.23
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[Hg].[Si+2]Br.[Si+2]Br
InChIInChI=1S/4C10H15.2BrSi.Hg/c4*1-6-7(2)9(4)10(5)8(6)3;2*1-2;/h4*1-5H3;;;/q;;;;2*+2;
InChIKeyXZDZFUIXEPWORK-UHFFFAOYSA-N
XLogP12.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.49
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 22836290?
The IUPAC name of CID 22836290 (CID 22836290) is not available.
What is the SMILES notation for CID 22836290?
The canonical SMILES for CID 22836290 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[Hg].[Si+2]Br.[Si+2]Br.
What is the InChIKey of CID 22836290?
The InChIKey is XZDZFUIXEPWORK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H15.2BrSi.Hg/c4*1-6-7(2)9(4)10(5)8(6)3;2*1-2;/h4*1-5H3;;;/q;;;;2*+2;.
What are the key properties of CID 22836290?
CID 22836290 has a molecular weight of 957.49 g/mol, XLogP of 12.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22836290 is sourced from PubChem (CID 22836290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).