Acetic acid, dichloro-, 2-ethylhexyl ester
Basic information
- CAS
68144-72-9- Standard SMILES
CCCCC(CC)COC(=O)C(Cl)Cl- InChIKey
YZINSTAPIVCOFK-UHFFFAOYSA-N- Molecular formula
- C10H18Cl2O2
- Average molar mass
- 241.15 g/mol
- Monoisotopic mass
- 240.0683852
Names & identifiers
- Preferred name
- Acetic acid, dichloro-, 2-ethylhexyl ester
- IUPAC
- 2-ethylhexyl 2,2-dichloroacetate
Names & synonyms
Acetic acid, dichloro-, 2-ethylhexyl ester68144-72-9DTXSID20338014RefChem:316603DTXCID502891012-Ethylhexyl dichloroacetate2-Ethylhexyl dichloroacetate #SCHEMBL7249517YZINSTAPIVCOFK-UHFFFAOYSA-NDichloroacetic acid, 2-ethylhexyl ester
Database identifiers
- CAS
68144-72-9- PubChem CID
- 545922
- DTXSID
DTXSID20338014- Nikkaji
- J3.404.576C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…