Basic information
- Standard SMILES
CC(C)(C)OC(=O)COCCC12CCC(c3cccc(O)c3)(CC1)OC2- InChIKey
RVWHQNRWTGEODU-UHFFFAOYSA-N- Molecular formula
- C21H30O5
- Average molar mass
- 362.5 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 2-(2-(1-(3-hydroxyphenyl)-2-oxabicyclo[2.2.2]octan-4-yl)ethoxy)acetate
- IUPAC
- tert-butyl 2-[2-[1-(3-hydroxyphenyl)-2-oxabicyclo[2.2.2]octan-4-yl]ethoxy]acetate
Names & synonyms
SCHEMBL16035138RVWHQNRWTGEODU-UHFFFAOYSA-Ntert-butyl 2-(2-(1-(3-hydroxyphenyl)-2-oxabicyclo[2.2.2]octan-4-yl) ethoxy)acetatetert-Butyl 2-(2-(1-(3-hydroxyphenyl)-2-oxabicyclo[2.2.2]octan-4-yl)ethoxy)acetate
Database identifiers
- PubChem CID
- 90408312
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 487
Related reactions
8 records
Compound notes
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