2-trimethylsilylethyl 2-oxopyran-4-carboxylate

C11H16O4Si — CID 134895285

IUPAC2-trimethylsilylethyl 2-oxopyran-4-carboxylate
SMILESC[Si](C)(C)CCOC(=O)c1ccoc(=O)c1
InChIInChI=1S/C11H16O4Si/c1-16(2,3)7-6-15-11(13)9-4-5-14-10(12)8-9/h4-5,8H,6-7H2,1-3H3
InChIKeyMLDLHUZVBURSJY-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.13
Rot. Bonds4

About 2-trimethylsilylethyl 2-oxopyran-4-carboxylate

2-trimethylsilylethyl 2-oxopyran-4-carboxylate (PubChem CID 134895285) has the molecular formula C11H16O4Si and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-oxopyran-4-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-oxopyran-4-carboxylate
PubChem CID134895285
Molecular FormulaC11H16O4Si
Molecular Weight240.33 g/mol
Exact Mass240.08
IUPAC Name2-trimethylsilylethyl 2-oxopyran-4-carboxylate
SMILESC[Si](C)(C)CCOC(=O)c1ccoc(=O)c1
InChIInChI=1S/C11H16O4Si/c1-16(2,3)7-6-15-11(13)9-4-5-14-10(12)8-9/h4-5,8H,6-7H2,1-3H3
InChIKeyMLDLHUZVBURSJY-UHFFFAOYSA-N
XLogP2.13
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-oxopyran-4-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 2-oxopyran-4-carboxylate (CID 134895285) is 2-trimethylsilylethyl 2-oxopyran-4-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 2-oxopyran-4-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 2-oxopyran-4-carboxylate is C[Si](C)(C)CCOC(=O)c1ccoc(=O)c1.
What is the InChIKey of 2-trimethylsilylethyl 2-oxopyran-4-carboxylate?
The InChIKey is MLDLHUZVBURSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4Si/c1-16(2,3)7-6-15-11(13)9-4-5-14-10(12)8-9/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 2-oxopyran-4-carboxylate?
2-trimethylsilylethyl 2-oxopyran-4-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-oxopyran-4-carboxylate is sourced from PubChem (CID 134895285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).