Basic information
- Standard SMILES
CCCCCC(CCCCC)C(O)c1c(O)cc(C(C)(C)C)c(OC(C)=O)c1C(C)(C)C- InChIKey
OCTPAXIWFQNGCA-UHFFFAOYSA-N- Molecular formula
- C28H48O4
- Average molar mass
- 448.7 g/mol
Names & identifiers
- Preferred name
- 4-Acetoxy-3,5-di-tert-butyl-2-(1-hydroxy-2-pentylheptyl)phenol
- IUPAC
- [2,6-ditert-butyl-4-hydroxy-3-(1-hydroxy-2-pentylheptyl)phenyl] acetate
Names & synonyms
SCHEMBL6309394OCTPAXIWFQNGCA-UHFFFAOYSA-N4-acetoxy-3,5-di-tert-butyl-2-(1-hydroxy-2-pentylheptyl)phenol
Database identifiers
- PubChem CID
- 11080836
- Nikkaji
- J2.085.136H
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 535
Related reactions
5 records
Compound notes
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