Basic information
- Standard SMILES
CCCc1c(OCCOCCOc2c(C(C)=O)ccc(OCCCCCC(=O)OC)c2CCC)ccc(C(C)=O)c1O- InChIKey
TYVVUIWGTOKTLU-UHFFFAOYSA-N- Molecular formula
- C33H46O9
- Average molar mass
- 586.7 g/mol
Names & identifiers
- Preferred name
- 6-[4-Acetyl-3-[2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]ethoxy]-2-propylphenoxy]hexanoic acid methyl ester
- IUPAC
- methyl 6-[4-acetyl-3-[2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]ethoxy]-2-propylphenoxy]hexanoate
Names & synonyms
SCHEMBL10690160TYVVUIWGTOKTLU-UHFFFAOYSA-N6-[4-acetyl-3-[2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]ethoxy]-2-propylphenoxy]hexanoic acid methyl ester
Database identifiers
- PubChem CID
- 14329979
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 22
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 787
Related reactions
3 records
Compound notes
Loading…