Basic information
- CAS
5327-30-0- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCCN1C(=O)c2ccccc2C1=O- InChIKey
NBROGIBKWCOXJE-UHFFFAOYSA-N- Molecular formula
- C28H41NO4
- Average molar mass
- 455.6 g/mol
- Monoisotopic mass
- 455.30355879
Names & identifiers
- Preferred name
- 2-(1,3-Dioxoisoindol-2-yl)ethyl octadec-9-enoate
- IUPAC
- 2-(1,3-dioxoisoindol-2-yl)ethyl octadec-9-enoate
Names & synonyms
5327-30-02-(1,3-dioxoisoindol-2-yl)ethyl octadec-9-enoateDTXSID302776422-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl octadec-9-enoate
Database identifiers
- CAS
5327-30-0- PubChem CID
- 220482
- DTXSID
DTXSID30277642
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 591
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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