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2-[Tert-butyl(diphenyl)silyl]oxy-4-methylsulfanylbutanoic acid

HCID 66813484
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

Related reactions

2 records
New reaction record
HRID 835793 reaction equation
HRID 835793As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 2311578 reaction equation
HRID 2311578As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes