methyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate

C16H22O4Si — CID 58782322

IUPACmethyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1cc2cccc(O[Si](C)(C)C(C)(C)C)c2o1
InChIInChI=1S/C16H22O4Si/c1-16(2,3)21(5,6)20-12-9-7-8-11-10-13(15(17)18-4)19-14(11)12/h7-10H,1-6H3
InChIKeyMBIJKCNUJCVGEH-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.60
Rot. Bonds3

About methyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate

methyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate (PubChem CID 58782322) has the molecular formula C16H22O4Si and a molecular weight of 306.43 g/mol. Its IUPAC name is methyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate
PubChem CID58782322
Molecular FormulaC16H22O4Si
Molecular Weight306.43 g/mol
Exact Mass306.13
IUPAC Namemethyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1cc2cccc(O[Si](C)(C)C(C)(C)C)c2o1
InChIInChI=1S/C16H22O4Si/c1-16(2,3)21(5,6)20-12-9-7-8-11-10-13(15(17)18-4)19-14(11)12/h7-10H,1-6H3
InChIKeyMBIJKCNUJCVGEH-UHFFFAOYSA-N
XLogP4.60
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.60
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 methyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate (CID 58782322) is methyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate is COC(=O)c1cc2cccc(O[Si](C)(C)C(C)(C)C)c2o1.
What is the InChIKey of methyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate?
The InChIKey is MBIJKCNUJCVGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4Si/c1-16(2,3)21(5,6)20-12-9-7-8-11-10-13(15(17)18-4)19-14(11)12/h7-10H,1-6H3.
What are the key properties of methyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate?
methyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate has a molecular weight of 306.43 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate is sourced from PubChem (CID 58782322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).