Basic information
- Standard SMILES
COC(=O)C1CCCC2(CCCCC2)C1=O- InChIKey
KXDOQDJYFFRGRJ-UHFFFAOYSA-N- Molecular formula
- C13H20O3
- Average molar mass
- 224.3 g/mol
Names & identifiers
- Preferred name
- 1-Oxo-spiro[5.5]undecane-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-oxospiro[5.5]undecane-4-carboxylate
Names & synonyms
SCHEMBL3399318KXDOQDJYFFRGRJ-UHFFFAOYSA-N1-oxo-spiro[5.5]undecane-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 15701404
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 290
Related reactions
4 records
Compound notes
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