Basic information
- CAS
71549-83-2- Standard SMILES
CCCCCCCCCCC(=O)OCC(COC(=O)CCCCC(=O)O)OC(=O)CCCCCCCC- InChIKey
MEOIVHFTKURYFI-UHFFFAOYSA-N- Molecular formula
- C29H52O8
- Average molar mass
- 528.7 g/mol
- Monoisotopic mass
- 528.36621861
Names & identifiers
- Preferred name
- 6-(2-Nonanoyloxy-3-undecanoyloxypropoxy)-6-oxohexanoic acid
- IUPAC
- 6-(2-nonanoyloxy-3-undecanoyloxypropoxy)-6-oxohexanoic acid
Names & synonyms
MEOIVHFTKURYFI-UHFFFAOYSA-N
Database identifiers
- CAS
71549-83-2- PubChem CID
- 3085495
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 29
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 605
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…