dimethyl 5-oxo-3-trimethylsilyloxyoxolane-2,3-dicarboxylate

C11H18O7Si — CID 560669

IUPACdimethyl 5-oxo-3-trimethylsilyloxyoxolane-2,3-dicarboxylate
SMILESCOC(=O)C1OC(=O)CC1(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C11H18O7Si/c1-15-9(13)8-11(10(14)16-2,6-7(12)17-8)18-19(3,4)5/h8H,6H2,1-5H3
InChIKeyXERWFSBSUNGVJD-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.24
Rot. Bonds4

About dimethyl 5-oxo-3-trimethylsilyloxyoxolane-2,3-dicarboxylate

dimethyl 5-oxo-3-trimethylsilyloxyoxolane-2,3-dicarboxylate (PubChem CID 560669) has the molecular formula C11H18O7Si and a molecular weight of 290.34 g/mol. Its IUPAC name is dimethyl 5-oxo-3-trimethylsilyloxyoxolane-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-oxo-3-trimethylsilyloxyoxolane-2,3-dicarboxylate
PubChem CID560669
Molecular FormulaC11H18O7Si
Molecular Weight290.34 g/mol
Exact Mass290.08
IUPAC Namedimethyl 5-oxo-3-trimethylsilyloxyoxolane-2,3-dicarboxylate
SMILESCOC(=O)C1OC(=O)CC1(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C11H18O7Si/c1-15-9(13)8-11(10(14)16-2,6-7(12)17-8)18-19(3,4)5/h8H,6H2,1-5H3
InChIKeyXERWFSBSUNGVJD-UHFFFAOYSA-N
XLogP0.24
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-oxo-3-trimethylsilyloxyoxolane-2,3-dicarboxylate?
The IUPAC name of dimethyl 5-oxo-3-trimethylsilyloxyoxolane-2,3-dicarboxylate (CID 560669) is dimethyl 5-oxo-3-trimethylsilyloxyoxolane-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-oxo-3-trimethylsilyloxyoxolane-2,3-dicarboxylate?
The canonical SMILES for dimethyl 5-oxo-3-trimethylsilyloxyoxolane-2,3-dicarboxylate is COC(=O)C1OC(=O)CC1(O[Si](C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl 5-oxo-3-trimethylsilyloxyoxolane-2,3-dicarboxylate?
The InChIKey is XERWFSBSUNGVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O7Si/c1-15-9(13)8-11(10(14)16-2,6-7(12)17-8)18-19(3,4)5/h8H,6H2,1-5H3.
What are the key properties of dimethyl 5-oxo-3-trimethylsilyloxyoxolane-2,3-dicarboxylate?
dimethyl 5-oxo-3-trimethylsilyloxyoxolane-2,3-dicarboxylate has a molecular weight of 290.34 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-oxo-3-trimethylsilyloxyoxolane-2,3-dicarboxylate is sourced from PubChem (CID 560669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).