Basic information
- CAS
5456-57-5- Standard SMILES
CCCCCCCCCCCC(=O)C(CCCCCCCCCC)C(=O)OC- InChIKey
MPNOPEYAQGNQJY-UHFFFAOYSA-N- Molecular formula
- C25H48O3
- Average molar mass
- 396.6 g/mol
- Monoisotopic mass
- 396.36034539
Names & identifiers
- Preferred name
- Methyl 2-decyl-3-oxo-tetradecanoate
- IUPAC
- methyl 2-decyl-3-oxotetradecanoate
Names & synonyms
5456-57-5methyl 2-decyl-3-oxotetradecanoateMETHYL 2-DECYL-3-OXO-TETRADECANOATENSC21530SCHEMBL10786821DTXSID90281402NSC-21530
Database identifiers
- CAS
5456-57-5- PubChem CID
- 228541
- DTXSID
DTXSID90281402
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 22
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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