Basic information
- Standard SMILES
O=C(O)COCCC12CCC(c3cccc(OCC4CCC4)c3)(CC1)OC2- InChIKey
IHDAILJUURUJTQ-UHFFFAOYSA-N- Molecular formula
- C22H30O5
- Average molar mass
- 374.5 g/mol
Names & identifiers
- Preferred name
- 2-(2-(1-(3-(Cyclobutylmethoxy)phenyl)-2-oxabicyclo[2.2.2]octan-4-yl)ethoxy)acetic acid
- IUPAC
- 2-[2-[1-[3-(cyclobutylmethoxy)phenyl]-2-oxabicyclo[2.2.2]octan-4-yl]ethoxy]acetic acid
Names & synonyms
SCHEMBL16037177IHDAILJUURUJTQ-UHFFFAOYSA-N2-(2-(1-(3-(Cyclobutylmethoxy)phenyl)-2-oxabicyclo[2.2.2]octan-4-yl)ethoxy)acetic acid
Database identifiers
- PubChem CID
- 90409899
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 507
Related reactions
1 records
Compound notes
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