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Basic information
- Standard SMILES
CCOC(=O)C1C(=O)CC(=O)C2CCCCC21- InChIKey
MPDGNQLGWZNXNN-UHFFFAOYSA-N- Molecular formula
- C13H18O4
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.12050905
Names & identifiers
- Preferred name
- 2,4-Dioxodecahydro-napthalene-1-carboxylic acid ethyl ester
- IUPAC
- ethyl 2,4-dioxo-4a,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxylate
Names & synonyms
NSC620038SCHEMBL5911583CHEMBL1965675MPDGNQLGWZNXNN-UHFFFAOYSA-NNSC-620038NCI60_0059162,4-dioxodecahydro-napthalene-1-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 359294
- ChEMBL
CHEMBL1965675
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
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Compound notes
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