Basic information
- CAS
56776-08-0- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)N1C(=O)C2CC=CCC2C1=O- InChIKey
OUMMMEILOGBHKO-UHFFFAOYSA-N- Molecular formula
- C26H43NO3
- Average molar mass
- 417.6 g/mol
- Monoisotopic mass
- 417.32429423
Names & identifiers
- Preferred name
- 2-Octadecanoyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-octadecanoyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Names & synonyms
56776-08-0N-stearoyl-4-cyclohexene-1,2-dicarboximideSCHEMBL11835907DTXSID80614947OUMMMEILOGBHKO-UHFFFAOYSA-N2-Octadecanoyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
56776-08-0- PubChem CID
- 21495916
- DTXSID
DTXSID80614947
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 543
Related reactions
2 records
Compound notes
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