Basic information
- CAS
52406-23-2- Standard SMILES
CC(=O)CCC(=O)OCCOC(=O)CCC(C)=O- InChIKey
LIQBLYKFSGXMNN-UHFFFAOYSA-N- Molecular formula
- C12H18O6
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.11033829
Names & identifiers
- Preferred name
- Ethane-1,2-diyl bis(4-oxopentanoate)
- IUPAC
- 2-(4-oxopentanoyloxy)ethyl 4-oxopentanoate
Names & synonyms
52406-23-2ethane-1,2-diyl bis(4-oxopentanoate)NSC67990SCHEMBL13635974DTXSID20290320NSC-67990
Database identifiers
- CAS
52406-23-2- PubChem CID
- 249555
- DTXSID
DTXSID20290320
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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