Basic information
- Standard SMILES
CC(C)(C)OC(=O)COCCC12CCC(c3cccc(OC4CCCCO4)c3)(CC1)OC2- InChIKey
LWDZYXDYUFAPND-UHFFFAOYSA-N- Molecular formula
- C26H38O6
- Average molar mass
- 446.6 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 2-(2-(1-(3-(tetrahydro-2H-pyran-2-yloxy)phenyl)-2-oxabicyclo[2.2.2]octan-4-yl)ethoxy)acetate
- IUPAC
- tert-butyl 2-[2-[1-[3-(oxan-2-yloxy)phenyl]-2-oxabicyclo[2.2.2]octan-4-yl]ethoxy]acetate
Names & synonyms
SCHEMBL16036150LWDZYXDYUFAPND-UHFFFAOYSA-Ntert-Butyl 2-(2-(1-(3-(tetrahydro-2H-pyran-2-yloxy)phenyl)-2-oxabicyclo[2.2.2]octan-4-yl)ethoxy)acetate
Database identifiers
- PubChem CID
- 90409110
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 618
Related reactions
3 records
Compound notes
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