Dodecyl (R)-12-hydroxyoleate
Basic information
- CAS
93980-68-8- Standard SMILES
CCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CC(O)CCCCCC- InChIKey
RAPSKERQUJHWAM-PYCFMQQDSA-N- Molecular formula
- C30H58O3
- Average molar mass
- 466.8 g/mol
- Monoisotopic mass
- 466.43859571
Overview
See also: Dodecyl (9Z,12R)-12-hydroxy-9-octadecenoate (annotation moved to).
Names & identifiers
- Preferred name
- Dodecyl (R)-12-hydroxyoleate
- IUPAC
- dodecyl (Z)-12-hydroxyoctadec-9-enoate
Names & synonyms
Dodecyl (R)-12-hydroxyoleateEINECS 301-047-2RAPSKERQUJHWAM-PYCFMQQDSA-N
Database identifiers
- CAS
93980-68-8- PubChem CID
- 6433015
Properties
Computed structural properties
- XLogP
- 11.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 27
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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