Basic information
- CAS
212957-26-1- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC- InChIKey
DTQQCCZJXXOHQL-UHFFFAOYSA-N- Molecular formula
- C56H110O4
- Average molar mass
- 847.5 g/mol
- Monoisotopic mass
- 846.84041199
Names & identifiers
- Preferred name
- Ethane-1,2-diyl diheptacosanoate
- IUPAC
- 2-heptacosanoyloxyethyl heptacosanoate
Names & synonyms
ethane-1,2-diyl diheptacosanoateDTXSID20988058212957-26-1
Database identifiers
- CAS
212957-26-1、68439-88-3- PubChem CID
- 110258
- DTXSID
DTXSID20988058
Properties
Computed structural properties
- XLogP
- 26.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 55
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 745
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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