Basic information
- Standard SMILES
CCOC(=O)[C@H]1[C@@H](C)CO[C@@]12OC(=O)c1c2ccc2c(C)cccc12- InChIKey
MSXZAUJGCANXCJ-TUIFFPIZSA-N- Molecular formula
- C20H20O5
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.13107374
Names & identifiers
- Preferred name
- ethyl (3R,3'S,4'R)-4',6-dimethyl-1-oxospiro[benzo[e][2]benzofuran-3,2'-oxolane]-3'-carboxylate
- IUPAC
- ethyl (3R,3'S,4'R)-4',6-dimethyl-1-oxospiro[benzo[e][2]benzofuran-3,2'-oxolane]-3'-carboxylate
Database identifiers
- Nikkaji
- J3.302.412F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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