Basic information
- CAS
88199-84-2- Standard SMILES
CCCCC[C@@H]1O[C@@H]1/C=C/C(=O)CCCCCCCC(=O)OC- InChIKey
HLXQSKPGVKCOHK-KRWOKUGFSA-N- Molecular formula
- C19H32O4
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.2300595
Names & identifiers
- Preferred name
- Methyl (2alpha(E),3alpha)-9-oxo-11-(3-pentyloxiranyl)-10-undecenoate
- IUPAC
- methyl (E)-9-oxo-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-10-enoate
Names & synonyms
88199-84-2Methyl (2alpha(E),3alpha)-9-oxo-11-(3-pentyloxiranyl)-10-undecenoateMethyl 9-oxo-11-(3-pentyloxiranyl)-10-undecenoate (2alpha(E),3alpha)-10-Undecenoic acid, 9-oxo-11-(3-pentyloxiranyl)-, methyl ester, (2alpha(E),3alpha)-
Database identifiers
- CAS
88199-84-2- PubChem CID
- 6439773
- Nikkaji
- J660.099I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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