Basic information
- CAS
61911-58-8- Standard SMILES
CCCCCCCCOC(=O)C=CC(=O)OCCCC- InChIKey
KBZVSYQZRXCWHY-UHFFFAOYSA-N- Molecular formula
- C16H28O4
- Average molar mass
- 284.39 g/mol
- Monoisotopic mass
- 284.19875937
Names & identifiers
- Preferred name
- 1-O-butyl 4-O-octyl but-2-enedioate
- IUPAC
- 1-O-butyl 4-O-octyl but-2-enedioate
Names & synonyms
SCHEMBL357074
Database identifiers
- CAS
61911-58-8- PubChem CID
- 112780
- DTXSID
DTXSID2069527
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…