8-Oxabicyclo[3.2.1]octane-3,3-dicarboxylic acid diethyl ester
Basic information
- Standard SMILES
CCOC(=O)C1(C(=O)OCC)CC2CCC(C1)O2- InChIKey
GBPCPNVZDSKYKH-UHFFFAOYSA-N- Molecular formula
- C13H20O5
- Average molar mass
- 256.29 g/mol
- Monoisotopic mass
- 256.13107373
Names & identifiers
- Preferred name
- 8-Oxabicyclo[3.2.1]octane-3,3-dicarboxylic acid diethyl ester
- IUPAC
- diethyl 8-oxabicyclo[3.2.1]octane-3,3-dicarboxylate
Names & synonyms
NSC194866SCHEMBL6997672GBPCPNVZDSKYKH-UHFFFAOYSA-NNSC-1948668-Oxabicyclo[3.2.1]octane-3,3-dicarboxylic acid diethyl ester
Database identifiers
- PubChem CID
- 304033
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
2 records
Compound notes
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