CTK1D3552

C18H32SeSn — CID 11048548

IUPAC—
SMILESCCCC[Sn](CCCC)CCCC.[Se]c1ccccc1
InChIInChI=1S/C6H5Se.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;
InChIKeyLMQBFNYUMNTGCA-UHFFFAOYSA-N
MW446.13 g/mol
LogP5.36
Rot. Bonds9

About CTK1D3552

CTK1D3552 (PubChem CID 11048548) has the molecular formula C18H32SeSn and a molecular weight of 446.13 g/mol.

Molecular Properties

Compound NameCTK1D3552
PubChem CID11048548
Molecular FormulaC18H32SeSn
Molecular Weight446.13 g/mol
Exact Mass448.07
IUPAC Name—
SMILESCCCC[Sn](CCCC)CCCC.[Se]c1ccccc1
InChIInChI=1S/C6H5Se.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;
InChIKeyLMQBFNYUMNTGCA-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.13
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 CTK1D3552?
The IUPAC name of CTK1D3552 (CID 11048548) is not available.
What is the SMILES notation for CTK1D3552?
The canonical SMILES for CTK1D3552 is CCCC[Sn](CCCC)CCCC.[Se]c1ccccc1.
What is the InChIKey of CTK1D3552?
The InChIKey is LMQBFNYUMNTGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Se.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;.
What are the key properties of CTK1D3552?
CTK1D3552 has a molecular weight of 446.13 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CTK1D3552 is sourced from PubChem (CID 11048548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).