Ethyl 8-cyclopropyl-8-oxooctanoate
Basic information
- CAS
898776-36-8- Standard SMILES
CCOC(=O)CCCCCCC(=O)C1CC1- InChIKey
OBLTUUKSOKLFNO-UHFFFAOYSA-N- Molecular formula
- C13H22O3
- Average molar mass
- 226.31 g/mol
- Monoisotopic mass
- 226.15689456
Names & identifiers
- Preferred name
- Ethyl 8-cyclopropyl-8-oxooctanoate
- IUPAC
- ethyl 8-cyclopropyl-8-oxooctanoate
- English name
- ETHYL 8-CYCLOPROPYL-8-OXOOCTANOATE
- Molecular formula
- C13H22O3
- Molecular weight
- 226.31
Names & synonyms
ETHYL 8-CYCLOPROPYL-8-OXOOCTANOATE898776-36-8MFCD01320333ETHYL8-CYCLOPROPYL-8-OXOOCTANOATEDTXSID10645663ethyl 8-cyclopropyl-8-oxo-octanoateAKOS016023072F207849Cyclopropaneoctanoic acid, η-oxo-, ethyl ester
Database identifiers
- CAS
898776-36-8- PubChem CID
- 24727445
- DTXSID
DTXSID10645663
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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