diethyl 3-trimethylsilyloxy-2,5-dihydrothiopyran-6,6-dicarboxylate

C14H24O5SSi — CID 14792537

IUPACdiethyl 3-trimethylsilyloxy-2,5-dihydrothiopyran-6,6-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=C(O[Si](C)(C)C)CS1
InChIInChI=1S/C14H24O5SSi/c1-6-17-12(15)14(13(16)18-7-2)9-8-11(10-20-14)19-21(3,4)5/h8H,6-7,9-10H2,1-5H3
InChIKeyQFSQWPTZUFMGRO-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.72
Rot. Bonds6

About diethyl 3-trimethylsilyloxy-2,5-dihydrothiopyran-6,6-dicarboxylate

diethyl 3-trimethylsilyloxy-2,5-dihydrothiopyran-6,6-dicarboxylate (PubChem CID 14792537) has the molecular formula C14H24O5SSi and a molecular weight of 332.49 g/mol. Its IUPAC name is diethyl 3-trimethylsilyloxy-2,5-dihydrothiopyran-6,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-trimethylsilyloxy-2,5-dihydrothiopyran-6,6-dicarboxylate
PubChem CID14792537
Molecular FormulaC14H24O5SSi
Molecular Weight332.49 g/mol
Exact Mass332.11
IUPAC Namediethyl 3-trimethylsilyloxy-2,5-dihydrothiopyran-6,6-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=C(O[Si](C)(C)C)CS1
InChIInChI=1S/C14H24O5SSi/c1-6-17-12(15)14(13(16)18-7-2)9-8-11(10-20-14)19-21(3,4)5/h8H,6-7,9-10H2,1-5H3
InChIKeyQFSQWPTZUFMGRO-UHFFFAOYSA-N
XLogP2.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 3-trimethylsilyloxy-2,5-dihydrothiopyran-6,6-dicarboxylate?
The IUPAC name of diethyl 3-trimethylsilyloxy-2,5-dihydrothiopyran-6,6-dicarboxylate (CID 14792537) is diethyl 3-trimethylsilyloxy-2,5-dihydrothiopyran-6,6-dicarboxylate.
What is the SMILES notation for diethyl 3-trimethylsilyloxy-2,5-dihydrothiopyran-6,6-dicarboxylate?
The canonical SMILES for diethyl 3-trimethylsilyloxy-2,5-dihydrothiopyran-6,6-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC=C(O[Si](C)(C)C)CS1.
What is the InChIKey of diethyl 3-trimethylsilyloxy-2,5-dihydrothiopyran-6,6-dicarboxylate?
The InChIKey is QFSQWPTZUFMGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5SSi/c1-6-17-12(15)14(13(16)18-7-2)9-8-11(10-20-14)19-21(3,4)5/h8H,6-7,9-10H2,1-5H3.
What are the key properties of diethyl 3-trimethylsilyloxy-2,5-dihydrothiopyran-6,6-dicarboxylate?
diethyl 3-trimethylsilyloxy-2,5-dihydrothiopyran-6,6-dicarboxylate has a molecular weight of 332.49 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-trimethylsilyloxy-2,5-dihydrothiopyran-6,6-dicarboxylate is sourced from PubChem (CID 14792537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).