Basic information
- CAS
5348-55-0- Standard SMILES
CCCCCCCCOC(=O)C(C)OC(=O)OCCOCCOC(=O)OC(C)C(=O)OCCCCCCCC- InChIKey
SITNPSJMUSBRBF-UHFFFAOYSA-N- Molecular formula
- C28H50O11
- Average molar mass
- 562.7 g/mol
- Monoisotopic mass
- 562.33531241
Names & identifiers
- Preferred name
- Dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate
- IUPAC
- octyl 2-[2-[2-(1-octoxy-1-oxopropan-2-yl)oxycarbonyloxyethoxy]ethoxycarbonyloxy]propanoate
Names & synonyms
dioctyl 2,14-dimethyl-4,12-dioxo-3,5,8,11,13-pentaoxapentadecane-1,15-dioate5348-55-0DTXSID00277235RefChem:338875DTXCID50228393NSC1280NSC-1280BIS(2-HYDROXYETHYL)ETHER, DIESTER WITH OCTYL LACTATE2-(2-(2-(1-octyloxycarbonyl-ethoxycarbonyloxy)-ethoxy)-ethoxycarbonyloxy)-propionic acid octyl ester
Database identifiers
- CAS
5348-55-0- PubChem CID
- 219680
- DTXSID
DTXSID00277235
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 30
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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