dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate

C18H24O6Si — CID 10618775

IUPACdimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate
SMILESCOC(=O)c1cc(O[Si](C)(C)C(C)(C)C)c2ccoc2c1C(=O)OC
InChIInChI=1S/C18H24O6Si/c1-18(2,3)25(6,7)24-13-10-12(16(19)21-4)14(17(20)22-5)15-11(13)8-9-23-15/h8-10H,1-7H3
InChIKeyLEBGEKRRIHFUQC-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.39
Rot. Bonds4

About dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate

dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate (PubChem CID 10618775) has the molecular formula C18H24O6Si and a molecular weight of 364.47 g/mol. Its IUPAC name is dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate
PubChem CID10618775
Molecular FormulaC18H24O6Si
Molecular Weight364.47 g/mol
Exact Mass364.13
IUPAC Namedimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate
SMILESCOC(=O)c1cc(O[Si](C)(C)C(C)(C)C)c2ccoc2c1C(=O)OC
InChIInChI=1S/C18H24O6Si/c1-18(2,3)25(6,7)24-13-10-12(16(19)21-4)14(17(20)22-5)15-11(13)8-9-23-15/h8-10H,1-7H3
InChIKeyLEBGEKRRIHFUQC-UHFFFAOYSA-N
XLogP4.39
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-bromo-2-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 167729068
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
CID 91737509
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobenzoate
CID 167730897
methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate
CID 167729628
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
CID 18464864
methyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate
CID 167715726
methyl 3,5-dibromo-2-[tert-butyl(dimethyl)silyl]oxy-6-methylbenzoate
CID 177175663
methyl 3-[tert-butyl(dimethyl)silyl]oxythiophene-2-carboxylate
CID 19432955
methyl 5-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-iodobenzoate
CID 167727351
4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid
CID 167716868
methyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate
CID 58782322
3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride
CID 10979521

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate?
The IUPAC name of dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate (CID 10618775) is dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate.
What is the SMILES notation for dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate?
The canonical SMILES for dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate is COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)c2ccoc2c1C(=O)OC.
What is the InChIKey of dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate?
The InChIKey is LEBGEKRRIHFUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O6Si/c1-18(2,3)25(6,7)24-13-10-12(16(19)21-4)14(17(20)22-5)15-11(13)8-9-23-15/h8-10H,1-7H3.
What are the key properties of dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate?
dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate has a molecular weight of 364.47 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-6,7-dicarboxylate is sourced from PubChem (CID 10618775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).