6-(3-Bromomethyl-pent-2-enyl)-5-methoxy-4-methyl-7-(2-trimethylsilanyl-ethoxy)-3H-isobenzofuran-1-one

HCID 67009884
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Basic information

Standard SMILES
CCC(=CCc1c(OC)c(C)c2c(c1OCC[Si](C)(C)C)C(=O)OC2)CBr
InChIKey
IOUVYUUCRDVIQL-UHFFFAOYSA-N
Molecular formula
C21H31BrO4Si
Average molar mass
455.5 g/mol
Monoisotopic mass
454.1175

Names & identifiers

Preferred name
6-(3-Bromomethyl-pent-2-enyl)-5-methoxy-4-methyl-7-(2-trimethylsilanyl-ethoxy)-3H-isobenzofuran-1-one
IUPAC
6-[3-(bromomethyl)pent-2-enyl]-5-methoxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one

Names & synonyms

SCHEMBL1373365IOUVYUUCRDVIQL-UHFFFAOYSA-N6-(3-Bromomethyl-pent-2-enyl)-5-methoxy-4-methyl-7-(2-trimethylsilanyl-ethoxy)-3H-isobenzofuran-1-one

Database identifiers

PubChem CID
67009884

Properties

Computed structural properties

Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
27

Related reactions

26 records
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Linked notes

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