dimethyl 2-trimethylsilylthiolane-3,4-dicarboxylate

C11H20O4SSi — CID 13448271

IUPACdimethyl 2-trimethylsilylthiolane-3,4-dicarboxylate
SMILESCOC(=O)C1CSC([Si](C)(C)C)C1C(=O)OC
InChIInChI=1S/C11H20O4SSi/c1-14-9(12)7-6-16-11(17(3,4)5)8(7)10(13)15-2/h7-8,11H,6H2,1-5H3
InChIKeyOQWKTPLVJDUCPY-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.56
Rot. Bonds3

About dimethyl 2-trimethylsilylthiolane-3,4-dicarboxylate

dimethyl 2-trimethylsilylthiolane-3,4-dicarboxylate (PubChem CID 13448271) has the molecular formula C11H20O4SSi and a molecular weight of 276.43 g/mol. Its IUPAC name is dimethyl 2-trimethylsilylthiolane-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-trimethylsilylthiolane-3,4-dicarboxylate
PubChem CID13448271
Molecular FormulaC11H20O4SSi
Molecular Weight276.43 g/mol
Exact Mass276.09
IUPAC Namedimethyl 2-trimethylsilylthiolane-3,4-dicarboxylate
SMILESCOC(=O)C1CSC([Si](C)(C)C)C1C(=O)OC
InChIInChI=1S/C11H20O4SSi/c1-14-9(12)7-6-16-11(17(3,4)5)8(7)10(13)15-2/h7-8,11H,6H2,1-5H3
InChIKeyOQWKTPLVJDUCPY-UHFFFAOYSA-N
XLogP1.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dimethyl 2-trimethylsilylthiolane-3,4-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
dimethyl (1R,2S,4R,5R,6R,7S)-3,8-dioxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate
CID 90679334
methyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate
CID 12726625
dimethyl (1R,3S,5R,7R)-pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-dicarboxylate
CID 99959650
dimethyl (1S,2R,3S)-3-hydroxycyclohex-4-ene-1,2-dicarboxylate
CID 25224363
tetramethyl 11-oxatricyclo[6.2.1.02,7]undec-2(7)-ene-4,5,9,10-tetracarboxylate
CID 14784377
tetramethyl (1S,8R,9R,10R)-11-oxatricyclo[6.2.1.02,7]undec-2(7)-ene-4,5,9,10-tetracarboxylate
CID 10691288
dimethyl (1S,2S,3R,4S)-bicyclo[2.2.0]hexane-2,3-dicarboxylate
CID 94034772
methyl 4-(methylamino)thiolane-3-carboxylate
CID 83846303
methyl (3S)-3-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 59319777

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-trimethylsilylthiolane-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-trimethylsilylthiolane-3,4-dicarboxylate (CID 13448271) is dimethyl 2-trimethylsilylthiolane-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-trimethylsilylthiolane-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-trimethylsilylthiolane-3,4-dicarboxylate is COC(=O)C1CSC([Si](C)(C)C)C1C(=O)OC.
What is the InChIKey of dimethyl 2-trimethylsilylthiolane-3,4-dicarboxylate?
The InChIKey is OQWKTPLVJDUCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4SSi/c1-14-9(12)7-6-16-11(17(3,4)5)8(7)10(13)15-2/h7-8,11H,6H2,1-5H3.
What are the key properties of dimethyl 2-trimethylsilylthiolane-3,4-dicarboxylate?
dimethyl 2-trimethylsilylthiolane-3,4-dicarboxylate has a molecular weight of 276.43 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-trimethylsilylthiolane-3,4-dicarboxylate is sourced from PubChem (CID 13448271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).