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Basic information
- Standard SMILES
COC(=O)CC1CCC2(OCCO2)C1(C)C(=O)OC- InChIKey
PHRYXGMMIMYDCT-UHFFFAOYSA-N- Molecular formula
- C13H20O6
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.12598835
Names & identifiers
- Preferred name
- Methyl 8-(2-methoxy-2-oxoethyl)-9-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate
- IUPAC
- methyl 8-(2-methoxy-2-oxoethyl)-9-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate
Database identifiers
- PubChem CID
- 359296
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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