methyl 2-(5-propylfuran-2-yl)-2-trimethylsilylacetate

C13H22O3Si — CID 100995697

IUPACmethyl 2-(5-propylfuran-2-yl)-2-trimethylsilylacetate
SMILESCCCc1ccc(C(C(=O)OC)[Si](C)(C)C)o1
InChIInChI=1S/C13H22O3Si/c1-6-7-10-8-9-11(16-10)12(13(14)15-2)17(3,4)5/h8-9,12H,6-7H2,1-5H3
InChIKeyRSGZYIIVYYLWFK-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.37
Rot. Bonds5

About methyl 2-(5-propylfuran-2-yl)-2-trimethylsilylacetate

methyl 2-(5-propylfuran-2-yl)-2-trimethylsilylacetate (PubChem CID 100995697) has the molecular formula C13H22O3Si and a molecular weight of 254.40 g/mol. Its IUPAC name is methyl 2-(5-propylfuran-2-yl)-2-trimethylsilylacetate.

Molecular Properties

Compound Namemethyl 2-(5-propylfuran-2-yl)-2-trimethylsilylacetate
PubChem CID100995697
Molecular FormulaC13H22O3Si
Molecular Weight254.40 g/mol
Exact Mass254.13
IUPAC Namemethyl 2-(5-propylfuran-2-yl)-2-trimethylsilylacetate
SMILESCCCc1ccc(C(C(=O)OC)[Si](C)(C)C)o1
InChIInChI=1S/C13H22O3Si/c1-6-7-10-8-9-11(16-10)12(13(14)15-2)17(3,4)5/h8-9,12H,6-7H2,1-5H3
InChIKeyRSGZYIIVYYLWFK-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate
CID 171213571
2-(5-propylfuran-2-yl)propanoate
CID 22411296
(1R)-1-(5-propylfuran-2-yl)ethanamine
CID 55276381
(1R)-N-methyl-1-(5-propylfuran-2-yl)ethanamine
CID 55276658
methyl 2-[3-(2-methoxy-2-oxo-1-trimethylsilylethyl)phenyl]-2-trimethylsilylacetate
CID 22165853
methyl 2-[2-(5-methylfuran-2-yl)ethylcarbamoyl]butanoate
CID 115187971
methyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate
CID 66098536
methyl 2-(4-propylphenyl)propanoate
CID 62801402
methyl 2-amino-4-(4-propylphenyl)butanoate
CID 116851455
ethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate
CID 135062979
ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate
CID 171243533
methyl 2-bromo-2-(4-propylphenyl)acetate
CID 87953523

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-propylfuran-2-yl)-2-trimethylsilylacetate?
The IUPAC name of methyl 2-(5-propylfuran-2-yl)-2-trimethylsilylacetate (CID 100995697) is methyl 2-(5-propylfuran-2-yl)-2-trimethylsilylacetate.
What is the SMILES notation for methyl 2-(5-propylfuran-2-yl)-2-trimethylsilylacetate?
The canonical SMILES for methyl 2-(5-propylfuran-2-yl)-2-trimethylsilylacetate is CCCc1ccc(C(C(=O)OC)[Si](C)(C)C)o1.
What is the InChIKey of methyl 2-(5-propylfuran-2-yl)-2-trimethylsilylacetate?
The InChIKey is RSGZYIIVYYLWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3Si/c1-6-7-10-8-9-11(16-10)12(13(14)15-2)17(3,4)5/h8-9,12H,6-7H2,1-5H3.
What are the key properties of methyl 2-(5-propylfuran-2-yl)-2-trimethylsilylacetate?
methyl 2-(5-propylfuran-2-yl)-2-trimethylsilylacetate has a molecular weight of 254.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-propylfuran-2-yl)-2-trimethylsilylacetate is sourced from PubChem (CID 100995697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).