Basic information
- CAS
57392-48-0- Standard SMILES
CC(C)CCC(=O)OCC(Cl)(Cl)Cl- InChIKey
GGNAUVDISWUXRK-UHFFFAOYSA-N- Molecular formula
- C8H13Cl3O2
- Average molar mass
- 247.5 g/mol
- Monoisotopic mass
- 245.998113
Names & identifiers
- Preferred name
- Pentanoic acid, 4-methyl, 2,2,2-trichloroethyl ester
- IUPAC
- 2,2,2-trichloroethyl 4-methylpentanoate
Names & synonyms
Pentanoic acid, 4-methyl, 2,2,2-trichloroethyl ester57392-48-0DTXSID00335783RefChem:368211DTXCID502868722,2,2-trichloroethyl 4-methylpentanoateGGNAUVDISWUXRK-UHFFFAOYSA-N
Database identifiers
- CAS
57392-48-0- PubChem CID
- 527273
- DTXSID
DTXSID00335783
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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