bis(trimethylsilyl) benzene-1,3-dicarboxylate

C14H22O4Si2 — CID 517878

IUPACbis(trimethylsilyl) benzene-1,3-dicarboxylate
SMILESC[Si](C)(C)OC(=O)c1cccc(C(=O)O[Si](C)(C)C)c1
InChIInChI=1S/C14H22O4Si2/c1-19(2,3)17-13(15)11-8-7-9-12(10-11)14(16)18-20(4,5)6/h7-10H,1-6H3
InChIKeyXBYWPSUAELKTET-UHFFFAOYSA-N
MW310.50 g/mol
LogP3.67
Rot. Bonds4

About bis(trimethylsilyl) benzene-1,3-dicarboxylate

bis(trimethylsilyl) benzene-1,3-dicarboxylate (PubChem CID 517878) has the molecular formula C14H22O4Si2 and a molecular weight of 310.50 g/mol. Its IUPAC name is bis(trimethylsilyl) benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namebis(trimethylsilyl) benzene-1,3-dicarboxylate
PubChem CID517878
Molecular FormulaC14H22O4Si2
Molecular Weight310.50 g/mol
Exact Mass310.11
IUPAC Namebis(trimethylsilyl) benzene-1,3-dicarboxylate
SMILESC[Si](C)(C)OC(=O)c1cccc(C(=O)O[Si](C)(C)C)c1
InChIInChI=1S/C14H22O4Si2/c1-19(2,3)17-13(15)11-8-7-9-12(10-11)14(16)18-20(4,5)6/h7-10H,1-6H3
InChIKeyXBYWPSUAELKTET-UHFFFAOYSA-N
XLogP3.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(trimethylsilyl) benzene-1,3-dicarboxylate 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 bis(trimethylsilyl) benzene-1,3-dicarboxylate?
The IUPAC name of bis(trimethylsilyl) benzene-1,3-dicarboxylate (CID 517878) is bis(trimethylsilyl) benzene-1,3-dicarboxylate.
What is the SMILES notation for bis(trimethylsilyl) benzene-1,3-dicarboxylate?
The canonical SMILES for bis(trimethylsilyl) benzene-1,3-dicarboxylate is C[Si](C)(C)OC(=O)c1cccc(C(=O)O[Si](C)(C)C)c1.
What is the InChIKey of bis(trimethylsilyl) benzene-1,3-dicarboxylate?
The InChIKey is XBYWPSUAELKTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4Si2/c1-19(2,3)17-13(15)11-8-7-9-12(10-11)14(16)18-20(4,5)6/h7-10H,1-6H3.
What are the key properties of bis(trimethylsilyl) benzene-1,3-dicarboxylate?
bis(trimethylsilyl) benzene-1,3-dicarboxylate has a molecular weight of 310.50 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) benzene-1,3-dicarboxylate is sourced from PubChem (CID 517878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).