Methyl 10-(trichloromethyl)octadecanoate
Basic information
- CAS
82040-45-7- Standard SMILES
CCCCCCCCC(CCCCCCCCC(=O)OC)C(Cl)(Cl)Cl- InChIKey
RJCQTVJOSDNCNJ-UHFFFAOYSA-N- Molecular formula
- C20H37Cl3O2
- Average molar mass
- 415.9 g/mol
- Monoisotopic mass
- 414.185914
Names & identifiers
- Preferred name
- Methyl 10-(trichloromethyl)octadecanoate
- IUPAC
- methyl 10-(trichloromethyl)octadecanoate
Names & synonyms
82040-45-7Methyl 10-(trichloromethyl)octadecanoateOctadecanoic acid, 10-(trichloromethyl)-, methyl esterDTXSID501002408
Database identifiers
- CAS
82040-45-7- PubChem CID
- 187296
- DTXSID
DTXSID501002408
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…