Basic information
- Standard SMILES
CC(C)(C)c1cc(CCC(=O)OCCCSCCC(=O)Cl)cc(C(C)(C)C)c1O- InChIKey
ABZDCVWVIUFVIZ-UHFFFAOYSA-N- Molecular formula
- C23H35ClO4S
- Average molar mass
- 443 g/mol
Names & identifiers
- Preferred name
- 3-[3-[3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionyloxy]propylthio]propionyl chloride
- IUPAC
- 3-(3-chloro-3-oxopropyl)sulfanylpropyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Names & synonyms
SCHEMBL10812013ABZDCVWVIUFVIZ-UHFFFAOYSA-N3-[3-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyloxy]propylthio]propionyl chloride
Database identifiers
- PubChem CID
- 13980997
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 500
Related reactions
3 records
Compound notes
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