ethyl 5-methyl-2-(2-trimethylsilylethyl)furan-3-carboxylate

C13H22O3Si — CID 165352519

IUPACethyl 5-methyl-2-(2-trimethylsilylethyl)furan-3-carboxylate
SMILESCCOC(=O)c1cc(C)oc1CC[Si](C)(C)C
InChIInChI=1S/C13H22O3Si/c1-6-15-13(14)11-9-10(2)16-12(11)7-8-17(3,4)5/h9H,6-8H2,1-5H3
InChIKeyNVQJDNOCLQRAMP-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.65
Rot. Bonds5

About ethyl 5-methyl-2-(2-trimethylsilylethyl)furan-3-carboxylate

ethyl 5-methyl-2-(2-trimethylsilylethyl)furan-3-carboxylate (PubChem CID 165352519) has the molecular formula C13H22O3Si and a molecular weight of 254.40 g/mol. Its IUPAC name is ethyl 5-methyl-2-(2-trimethylsilylethyl)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(2-trimethylsilylethyl)furan-3-carboxylate
PubChem CID165352519
Molecular FormulaC13H22O3Si
Molecular Weight254.40 g/mol
Exact Mass254.13
IUPAC Nameethyl 5-methyl-2-(2-trimethylsilylethyl)furan-3-carboxylate
SMILESCCOC(=O)c1cc(C)oc1CC[Si](C)(C)C
InChIInChI=1S/C13H22O3Si/c1-6-15-13(14)11-9-10(2)16-12(11)7-8-17(3,4)5/h9H,6-8H2,1-5H3
InChIKeyNVQJDNOCLQRAMP-UHFFFAOYSA-N
XLogP3.65
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-methyl-2-(2-trimethylsilylethyl)furan-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(2-trimethylsilylethyl)furan-3-carboxylate (CID 165352519) is ethyl 5-methyl-2-(2-trimethylsilylethyl)furan-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(2-trimethylsilylethyl)furan-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(2-trimethylsilylethyl)furan-3-carboxylate is CCOC(=O)c1cc(C)oc1CC[Si](C)(C)C.
What is the InChIKey of ethyl 5-methyl-2-(2-trimethylsilylethyl)furan-3-carboxylate?
The InChIKey is NVQJDNOCLQRAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3Si/c1-6-15-13(14)11-9-10(2)16-12(11)7-8-17(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of ethyl 5-methyl-2-(2-trimethylsilylethyl)furan-3-carboxylate?
ethyl 5-methyl-2-(2-trimethylsilylethyl)furan-3-carboxylate has a molecular weight of 254.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(2-trimethylsilylethyl)furan-3-carboxylate is sourced from PubChem (CID 165352519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).