Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(Cc1cc(C)c(O)c(C(C)(C)C)c1)C(=O)OCCCCCCCCCCCCCCCCCC- InChIKey
KQEPQKRGTBAQRR-UHFFFAOYSA-N- Molecular formula
- C51H92O5
- Average molar mass
- 785.3 g/mol
Names & identifiers
- Preferred name
- Distearyl (4-hydroxy-3-methyl-5-t-butylbenzyl)malonate
- IUPAC
- dioctadecyl 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]propanedioate
Names & synonyms
SCHEMBL38945SCHEMBL29357080distearyl (4-hydroxy-3-methyl-5-t-butylbenzyl)malonate
Database identifiers
- PubChem CID
- 18320792
- Nikkaji
- J76.361F
Properties
Computed structural properties
- XLogP
- 21.5
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 41
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 845
Related reactions
1 records
Compound notes
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