Basic information
- CAS
13347-96-1- Standard SMILES
CCOC(=O)C1(CCC=O)CCCCCCC1=O- InChIKey
IXGMNQHNUDNPJT-UHFFFAOYSA-N- Molecular formula
- C14H22O4
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.15180918
Names & identifiers
- Preferred name
- Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester
- IUPAC
- ethyl 2-oxo-1-(3-oxopropyl)cyclooctane-1-carboxylate
Names & synonyms
ethyl 2-oxo-1-(3-oxopropyl)cyclooctane-1-carboxylate13347-96-1Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl esterDTXSID80336576IXGMNQHNUDNPJT-UHFFFAOYSA-NEthyl 2-oxo-1-(3-oxopropyl)cyclooctanecarboxylate #Ethyl 1-(2-formylethyl)-2-oxocylooctane-1-carboxylate
Database identifiers
- CAS
13347-96-1- PubChem CID
- 534710
- DTXSID
DTXSID80336576
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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