ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxofuran-2-carboxylate

C14H24O5Si — CID 11150746

IUPACethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxofuran-2-carboxylate
SMILESCCOC(=O)C1(C)C=C(O[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C14H24O5Si/c1-8-17-12(16)14(5)9-10(11(15)18-14)19-20(6,7)13(2,3)4/h9H,8H2,1-7H3
InChIKeyFCSAURGLAILZKJ-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.77
Rot. Bonds4

About ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxofuran-2-carboxylate

ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxofuran-2-carboxylate (PubChem CID 11150746) has the molecular formula C14H24O5Si and a molecular weight of 300.43 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxofuran-2-carboxylate
PubChem CID11150746
Molecular FormulaC14H24O5Si
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxofuran-2-carboxylate
SMILESCCOC(=O)C1(C)C=C(O[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C14H24O5Si/c1-8-17-12(16)14(5)9-10(11(15)18-14)19-20(6,7)13(2,3)4/h9H,8H2,1-7H3
InChIKeyFCSAURGLAILZKJ-UHFFFAOYSA-N
XLogP2.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxofuran-2-carboxylate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxofuran-2-carboxylate (CID 11150746) is ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxofuran-2-carboxylate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxofuran-2-carboxylate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxofuran-2-carboxylate is CCOC(=O)C1(C)C=C(O[Si](C)(C)C(C)(C)C)C(=O)O1.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxofuran-2-carboxylate?
The InChIKey is FCSAURGLAILZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5Si/c1-8-17-12(16)14(5)9-10(11(15)18-14)19-20(6,7)13(2,3)4/h9H,8H2,1-7H3.
What are the key properties of ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxofuran-2-carboxylate?
ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxofuran-2-carboxylate has a molecular weight of 300.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxofuran-2-carboxylate is sourced from PubChem (CID 11150746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).