Basic information
- Standard SMILES
O=C(O)CCCCCCCCCCCOC(=O)OCC(Cl)(Cl)Cl- InChIKey
NCPVDKVILLUFEW-UHFFFAOYSA-N- Molecular formula
- C15H25Cl3O5
- Average molar mass
- 391.7 g/mol
- Monoisotopic mass
- 390.076757
Names & identifiers
- Preferred name
- 12-Trichloroethoxycarbonyloxydodecanoic acid
- IUPAC
- 12-(2,2,2-trichloroethoxycarbonyloxy)dodecanoic acid
Names & synonyms
SCHEMBL9258371NCPVDKVILLUFEW-UHFFFAOYSA-N12-Trichloroethoxycarbonyloxydodecanoic acid
Database identifiers
- PubChem CID
- 14772452
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 332
Related reactions
2 records
Compound notes
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