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

C17H24O4Si — CID 68715819

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCc1c(C(=O)O)oc2cccc(CO[Si](C)(C)C(C)(C)C)c12
InChIInChI=1S/C17H24O4Si/c1-11-14-12(10-20-22(5,6)17(2,3)4)8-7-9-13(14)21-15(11)16(18)19/h7-9H,10H2,1-6H3,(H,18,19)
InChIKeyZCLTVFQHMAIIPX-UHFFFAOYSA-N
MW320.46 g/mol
LogP4.96
Rot. Bonds4

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

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 68715819) has the molecular formula C17H24O4Si and a molecular weight of 320.46 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid
PubChem CID68715819
Molecular FormulaC17H24O4Si
Molecular Weight320.46 g/mol
Exact Mass320.14
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCc1c(C(=O)O)oc2cccc(CO[Si](C)(C)C(C)(C)C)c12
InChIInChI=1S/C17H24O4Si/c1-11-14-12(10-20-22(5,6)17(2,3)4)8-7-9-13(14)21-15(11)16(18)19/h7-9H,10H2,1-6H3,(H,18,19)
InChIKeyZCLTVFQHMAIIPX-UHFFFAOYSA-N
XLogP4.96
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
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 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid (CID 68715819) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid is Cc1c(C(=O)O)oc2cccc(CO[Si](C)(C)C(C)(C)C)c12.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is ZCLTVFQHMAIIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4Si/c1-11-14-12(10-20-22(5,6)17(2,3)4)8-7-9-13(14)21-15(11)16(18)19/h7-9H,10H2,1-6H3,(H,18,19).
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid has a molecular weight of 320.46 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 68715819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).