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

HCID 67010260
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1c(C)c2c(c(OCC[Si](C)(C)C)c1CC=C(C)CO)C(=O)OC2
InChIKey
NWHNECVUGHLQJN-UHFFFAOYSA-N
Molecular formula
C20H30O5Si
Average molar mass
378.5 g/mol

Names & identifiers

Preferred name
6-(4-Hydroxy-3-methyl-but-2-enyl)-5-methoxy-4-methyl-7-(2-trimethylsilanyl-ethoxy)3H-isobenzofuran-1-one
IUPAC
6-(4-hydroxy-3-methylbut-2-enyl)-5-methoxy-4-methyl-7-(2-trimethylsilylethoxy)-3H-2-benzofuran-1-one

Names & synonyms

SCHEMBL1374434NWHNECVUGHLQJN-UHFFFAOYSA-N6-(4-hydroxy-3-methyl-but-2-enyl)-5-methoxy-4-methyl-7-(2-trimethylsilanyl-ethoxy)-3H-isobenzofuran-1-one6-(4-Hydroxy-3-methyl-but-2-enyl)-5-methoxy-4-methyl-7-(2-trimethylsilanyl-ethoxy)3H-isobenzofuran-1-one

Database identifiers

PubChem CID
67010260

Properties

Computed structural properties

Topological polar surface area
65 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
26
Formal charge
0
Complexity
513

Related reactions

19 records
New reaction record
HRID 32968 reaction equation
HRID 32968As productuspto-grants-2008_09
HRID 33025 reaction equation
HRID 33025As reactantuspto-grants-2008_09
HRID 33632 reaction equation
HRID 33632As productuspto-grants-2008_09
HRID 33689 reaction equation
HRID 33689As reactantuspto-grants-2008_09
HRID 144958 reaction equation
HRID 144958As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 272113 reaction equation
HRID 272113As productuspto-grants-2008_11
HRID 272114 reaction equation
HRID 272114As reactantuspto-grants-2008_11
HRID 272160 reaction equation
HRID 272160As productuspto-grants-2008_11
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Compound notes

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