Basic information
- CAS
89208-24-2- Standard SMILES
CC(C)CC(C)(C)C(CCC(=O)OCCCCCCO)CC(=O)OCCCCCCO- InChIKey
STXRSXPOUMPSCZ-UHFFFAOYSA-N- Molecular formula
- C25H48O6
- Average molar mass
- 444.6 g/mol
- Monoisotopic mass
- 444.34508925
Names & identifiers
- Preferred name
- Bis(6-hydroxyhexyl) 3-(2,4-dimethylpentan-2-yl)hexanedioate
- IUPAC
- bis(6-hydroxyhexyl) 3-(2,4-dimethylpentan-2-yl)hexanedioate
Names & synonyms
89208-24-2DTXSID50752380Bis(6-hydroxyhexyl) 3-(2,4-dimethylpentan-2-yl)hexanedioate
Database identifiers
- CAS
89208-24-2- PubChem CID
- 71322729
- DTXSID
DTXSID50752380
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 22
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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