Basic information
- CAS
61454-96-4- Standard SMILES
CCOC(=O)CC(CC)C(=O)CC- InChIKey
UJEWVSMTHNPHKH-UHFFFAOYSA-N- Molecular formula
- C10H18O3
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.12559443
Names & identifiers
- Preferred name
- Ethyl 3-ethyl-4-oxohexanoate
- IUPAC
- ethyl 3-ethyl-4-oxohexanoate
Names & synonyms
Ethyl 3-ethyl-4-oxohexanoate61454-96-4DTXSID903378523-Ethyl-4-oxohexanoic acid, ethyl esterRefChem:343403DTXCID70288939UJEWVSMTHNPHKH-UHFFFAOYSA-NEthyl 3-ethyl-4-oxohexanoate #
Database identifiers
- CAS
61454-96-4- PubChem CID
- 545126
- DTXSID
DTXSID90337852
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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