Basic information
- CAS
104966-92-9- Standard SMILES
COc1cc(C)c(C(=O)CCCCCCCCCOC(C)=O)c(O)c1OC- InChIKey
BETSFLBGTVSIHA-UHFFFAOYSA-N- Molecular formula
- C21H32O6
- Average molar mass
- 380.5 g/mol
Names & identifiers
- Preferred name
- [10-(2-Hydroxy-3,4-dimethoxy-6-methylphenyl)-10-oxodecyl] acetate
- IUPAC
- [10-(2-hydroxy-3,4-dimethoxy-6-methylphenyl)-10-oxodecyl] acetate
- English name
- Idebenone Impurity 9
- Molecular formula
- C21H32O6
- Molecular weight
- 380.48
Names & synonyms
SCHEMBL27725305Idebenone Impurity 91-Decanone, 10-(acetyloxy)-1-(2-hydroxy-3,4-dimethoxy-6-methylphenyl)-
Database identifiers
- CAS
104966-92-9
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 438
Chemistry & industry
Suppliers5 total
济南百隆化学有限公司[email protected] · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…