2-(2-Hydroxyundecyl)-6-methoxy-3,5-dimethyl-4H-pyran-4-one
Basic information
- CAS
922172-19-8- Standard SMILES
CCCCCCCCCC(O)Cc1oc(OC)c(C)c(=O)c1C- InChIKey
KVKMYMLFZIFPFY-UHFFFAOYSA-N- Molecular formula
- C19H32O4
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.2300595
Names & identifiers
- Preferred name
- 2-(2-Hydroxyundecyl)-6-methoxy-3,5-dimethyl-4H-pyran-4-one
- IUPAC
- 2-(2-hydroxyundecyl)-6-methoxy-3,5-dimethylpyran-4-one
Names & synonyms
922172-19-82-(2-Hydroxyundecyl)-6-methoxy-3,5-dimethyl-4H-pyran-4-oneCHEMBL1097844DTXSID30582804
Database identifiers
- CAS
922172-19-8- PubChem CID
- 16101044
- DTXSID
DTXSID30582804- ChEMBL
CHEMBL1097844- Nikkaji
- J2.419.218K
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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