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Compound
2-[Tert-butyl(diphenyl)silyl]oxy-4-methylsulfanylbutanoic acid
HCID
66813484
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CSCCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIKey
QSIWCVFQTVHTJL-UHFFFAOYSA-N
Molecular formula
C21H28O3SSi
Average molar mass
388.6 g/mol
Monoisotopic mass
388.15284246
Names & identifiers
Preferred name
2-[Tert-butyl(diphenyl)silyl]oxy-4-methylsulfanylbutanoic acid
IUPAC
2-[tert-butyl(diphenyl)silyl]oxy-4-methylsulfanylbutanoic acid
Names & synonyms
SCHEMBL839906
Database identifiers
PubChem CID
66813484
Properties
Computed structural properties
Topological polar surface area
71.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
26
Formal charge
0
Complexity
419
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
835793
As product
Test data from https://doi.org/10.1039/C8SC04228D
HRID
2311578
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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