(3-Hydroxy-2-undecanoyloxypropyl) undecanoate
Basic information
- CAS
121957-70-8- Standard SMILES
CCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCC- InChIKey
XPEVAPYTQHIGLO-UHFFFAOYSA-N- Molecular formula
- C25H48O5
- Average molar mass
- 428.6 g/mol
Names & identifiers
- Preferred name
- (3-Hydroxy-2-undecanoyloxypropyl) undecanoate
- IUPAC
- (3-hydroxy-2-undecanoyloxypropyl) undecanoate
- English name
- DIUNDECANOIN
- Molecular formula
- C25H48O5
- Molecular weight
- 428.65
Names & synonyms
DG 11:0_11:0DIUNDECANOIN
Database identifiers
- CAS
121957-70-8- Nikkaji
- J118.330C
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 24
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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