4-O-octadecyl 1-O-octyl (E)-but-2-enedioate
Basic information
- CAS
68921-54-0- Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCC- InChIKey
XUFFPZULJBNAFH-OCEACIFDSA-N- Molecular formula
- C30H56O4
- Average molar mass
- 480.8 g/mol
- Monoisotopic mass
- 480.41786026
Names & identifiers
- Preferred name
- 4-O-octadecyl 1-O-octyl (E)-but-2-enedioate
- IUPAC
- 4-O-octadecyl 1-O-octyl (E)-but-2-enedioate
Database identifiers
- CAS
68921-54-0- PubChem CID
- 6437686
Properties
Computed structural properties
- XLogP
- 12.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 28
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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