ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate

C19H28O4Si — CID 68711986

IUPACethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2cccc(CO[Si](C)(C)C(C)(C)C)c2c1C
InChIInChI=1S/C19H28O4Si/c1-8-21-18(20)17-13(2)16-14(10-9-11-15(16)23-17)12-22-24(6,7)19(3,4)5/h9-11H,8,12H2,1-7H3
InChIKeyCNTYKAGESCJMID-UHFFFAOYSA-N
MW348.52 g/mol
LogP5.44
Rot. Bonds5

About ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate

ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 68711986) has the molecular formula C19H28O4Si and a molecular weight of 348.52 g/mol. Its IUPAC name is ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate
PubChem CID68711986
Molecular FormulaC19H28O4Si
Molecular Weight348.52 g/mol
Exact Mass348.18
IUPAC Nameethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2cccc(CO[Si](C)(C)C(C)(C)C)c2c1C
InChIInChI=1S/C19H28O4Si/c1-8-21-18(20)17-13(2)16-14(10-9-11-15(16)23-17)12-22-24(6,7)19(3,4)5/h9-11H,8,12H2,1-7H3
InChIKeyCNTYKAGESCJMID-UHFFFAOYSA-N
XLogP5.44
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.52
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 68715819
ethyl 3-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-1-benzofuran-2-carboxylate
CID 68714486
ethyl 4-ethynyl-3-methyl-1-benzofuran-2-carboxylate
CID 86058915
ethyl 3-methyl-4-(2-trimethylsilylethynyl)-1-benzofuran-2-carboxylate
CID 68715444
ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 24807327
ethyl 4-[3-[(2-ethoxycarbonyl-3-methyl-1-benzofuran-4-yl)peroxy]-2-hydroxypropyl]-3-methyl-1-benzofuran-2-carboxylate
CID 21156197
4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid
CID 68711320
ethyl 4-(3-hydroxyprop-1-ynyl)-3-methyl-1-benzofuran-2-carboxylate
CID 68715077
ethyl 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-1-benzofuran-2-carboxylate
CID 68714707
ethyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate
CID 151293297
ethyl 4-[3-(diaminomethylideneamino)propoxy]-3-methyl-1-benzofuran-2-carboxylate;hydrochloride
CID 68655867
ethyl 5-fluoro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate
CID 54073356

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate (CID 68711986) is ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2cccc(CO[Si](C)(C)C(C)(C)C)c2c1C.
What is the InChIKey of ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is CNTYKAGESCJMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O4Si/c1-8-21-18(20)17-13(2)16-14(10-9-11-15(16)23-17)12-22-24(6,7)19(3,4)5/h9-11H,8,12H2,1-7H3.
What are the key properties of ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate?
ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 348.52 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 68711986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).