Ethyl 12-oxododecanoate
Basic information
- CAS
151271-75-9- Standard SMILES
CCOC(=O)CCCCCCCCCCC=O- InChIKey
WVLXAAYOSTYIMM-UHFFFAOYSA-N- Molecular formula
- C14H26O3
- Average molar mass
- 242.35 g/mol
- Monoisotopic mass
- 242.18819469
Names & identifiers
- Preferred name
- Ethyl 12-oxododecanoate
- IUPAC
- ethyl 12-oxododecanoate
Names & synonyms
Ethyl 12-oxododecanoate151271-75-9DTXSID3033995612-Oxododecanoic acid, ethyl esterRefChem:342106DTXCID00291037WVLXAAYOSTYIMM-UHFFFAOYSA-NEthyl 12-oxododecanoate #SCHEMBL7946850
Database identifiers
- CAS
151271-75-9- PubChem CID
- 560304
- DTXSID
DTXSID30339956- Nikkaji
- J1.328.743K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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