Basic information
- Standard SMILES
CCCCCCCCCCCCCCCC(CC(=O)OC(C)(C)C)OC(=O)CCCCCNC(=O)CCCCCCCCC- InChIKey
DSEOCYPHDABUHB-UHFFFAOYSA-N- Molecular formula
- C38H73NO5
- Average molar mass
- 624 g/mol
Names & identifiers
- Preferred name
- 3-(6-Decanamidohexanoyloxy)octadecanoic acid t-butyl ester
- IUPAC
- tert-butyl 3-[6-(decanoylamino)hexanoyloxy]octadecanoate
Names & synonyms
SCHEMBL10825191DSEOCYPHDABUHB-UHFFFAOYSA-N3-(6-decanamidohexanoyloxy)octadecanoic acid t-butyl ester
Database identifiers
- PubChem CID
- 53776356
Properties
Computed structural properties
- XLogP
- 13.1
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 34
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 687
Related reactions
2 records
Compound notes
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