2-tributylstannyl-3-trimethylsilylnaphthalene-1,4-dione

C25H40O2SiSn — CID 11734052

IUPAC2-tributylstannyl-3-trimethylsilylnaphthalene-1,4-dione
SMILESCCCC[Sn](CCCC)(CCCC)C1=C([Si](C)(C)C)C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H13O2Si.3C4H9.Sn/c1-16(2,3)12-8-11(14)9-6-4-5-7-10(9)13(12)15;3*1-3-4-2;/h4-7H,1-3H3;3*1,3-4H2,2H3;
InChIKeyVCSIOXQPPRDWFC-UHFFFAOYSA-N
MW519.39 g/mol
LogP7.63
Rot. Bonds11

About 2-tributylstannyl-3-trimethylsilylnaphthalene-1,4-dione

2-tributylstannyl-3-trimethylsilylnaphthalene-1,4-dione (PubChem CID 11734052) has the molecular formula C25H40O2SiSn and a molecular weight of 519.39 g/mol. Its IUPAC name is 2-tributylstannyl-3-trimethylsilylnaphthalene-1,4-dione.

Molecular Properties

Compound Name2-tributylstannyl-3-trimethylsilylnaphthalene-1,4-dione
PubChem CID11734052
Molecular FormulaC25H40O2SiSn
Molecular Weight519.39 g/mol
Exact Mass520.18
IUPAC Name2-tributylstannyl-3-trimethylsilylnaphthalene-1,4-dione
SMILESCCCC[Sn](CCCC)(CCCC)C1=C([Si](C)(C)C)C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H13O2Si.3C4H9.Sn/c1-16(2,3)12-8-11(14)9-6-4-5-7-10(9)13(12)15;3*1-3-4-2;/h4-7H,1-3H3;3*1,3-4H2,2H3;
InChIKeyVCSIOXQPPRDWFC-UHFFFAOYSA-N
XLogP7.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.39
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-tributylstannyl-3-trimethylsilylnaphthalene-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tributylstannyl-3-trimethylsilylnaphthalene-1,4-dione?
The IUPAC name of 2-tributylstannyl-3-trimethylsilylnaphthalene-1,4-dione (CID 11734052) is 2-tributylstannyl-3-trimethylsilylnaphthalene-1,4-dione.
What is the SMILES notation for 2-tributylstannyl-3-trimethylsilylnaphthalene-1,4-dione?
The canonical SMILES for 2-tributylstannyl-3-trimethylsilylnaphthalene-1,4-dione is CCCC[Sn](CCCC)(CCCC)C1=C([Si](C)(C)C)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-tributylstannyl-3-trimethylsilylnaphthalene-1,4-dione?
The InChIKey is VCSIOXQPPRDWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O2Si.3C4H9.Sn/c1-16(2,3)12-8-11(14)9-6-4-5-7-10(9)13(12)15;3*1-3-4-2;/h4-7H,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of 2-tributylstannyl-3-trimethylsilylnaphthalene-1,4-dione?
2-tributylstannyl-3-trimethylsilylnaphthalene-1,4-dione has a molecular weight of 519.39 g/mol, XLogP of 7.63, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tributylstannyl-3-trimethylsilylnaphthalene-1,4-dione is sourced from PubChem (CID 11734052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).