rac-2-(4-Ethoxy-4-oxobutoxy)-6-[6-[(tetrahydro-2H-pyran-2-yl)oxy]hexyl]benzenepropanoic acid methyl ester
Basic information
- Standard SMILES
CCOC(=O)CCCOc1cccc(CCCCCCOC2CCCCO2)c1CCC(=O)OC- InChIKey
AWQBJUDICBYEGC-UHFFFAOYSA-N- Molecular formula
- C27H42O7
- Average molar mass
- 478.6 g/mol
Names & identifiers
- Preferred name
- rac-2-(4-Ethoxy-4-oxobutoxy)-6-[6-[(tetrahydro-2H-pyran-2-yl)oxy]hexyl]benzenepropanoic acid methyl ester
- IUPAC
- ethyl 4-[2-(3-methoxy-3-oxopropyl)-3-[6-(oxan-2-yloxy)hexyl]phenoxy]butanoate
Names & synonyms
SCHEMBL8463851AWQBJUDICBYEGC-UHFFFAOYSA-Nrac-2-(4-Ethoxy-4-oxobutoxy)-6-[6-[(tetrahydro-2H-pyran-2-yl)oxy]hexyl]benzenepropanoic acid methyl ester
Database identifiers
- PubChem CID
- 53666033
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 19
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 553
Related reactions
2 records
Compound notes
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