Basic information
- CAS
53613-55-1- Standard SMILES
COC(=O)CCCCCCCC=CC=O- InChIKey
MGEJSRKZEJDCJG-UHFFFAOYSA-N- Molecular formula
- C12H20O3
- Average molar mass
- 212.28 g/mol
- Monoisotopic mass
- 212.1412445
Names & identifiers
- Preferred name
- Methyl 11-oxo-9-undecenoate
- IUPAC
- methyl 11-oxoundec-9-enoate
Names & synonyms
Methyl 11-oxo-9-undecenoatemethyl 11-oxoundec-9-enoate53613-55-1SCHEMBL4450549DTXSID101016380
Database identifiers
- CAS
53613-55-1- PubChem CID
- 534673
- DTXSID
DTXSID101016380
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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