Basic information
- CAS
93980-67-7- Standard SMILES
CCCCCCCCCCOC(=O)CCCCCCC/C=C\CC(O)CCCCCC- InChIKey
TXWLKCGKLFGYNO-SILNSSARSA-N- Molecular formula
- C28H54O3
- Average molar mass
- 438.7 g/mol
- Monoisotopic mass
- 438.40729558
Names & identifiers
- Preferred name
- Decyl (R)-12-hydroxyoleate
- IUPAC
- decyl (Z)-12-hydroxyoctadec-9-enoate
Names & synonyms
Decyl (R)-12-hydroxyoleateEINECS 301-046-793980-67-7SCHEMBL25340998TXWLKCGKLFGYNO-SILNSSARSA-N
Database identifiers
- CAS
93980-67-7- PubChem CID
- 6433014
- EC Number
- 301-046-7
Properties
Computed structural properties
- XLogP
- 10.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 25
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…