Basic information
- CAS
63867-07-2- Standard SMILES
CCC(CC)C(=O)OC(C)C(Cl)(Cl)Cl- InChIKey
VEXVHEBQGLIYEH-UHFFFAOYSA-N- Molecular formula
- C9H15Cl3O2
- Average molar mass
- 261.6 g/mol
- Monoisotopic mass
- 260.013763
Names & identifiers
- Preferred name
- Butyric acid, 2-ethyl-, 1,1,1-trichloroisopropyl ester
- IUPAC
- 1,1,1-trichloropropan-2-yl 2-ethylbutanoate
Names & synonyms
63867-07-2BUTYRIC ACID, 2-ETHYL-, 1,1,1-TRICHLOROISOPROPYL ESTERRefChem:1080462Trichloroisopropyl 2-ethylbutyrate2-Ethylbutyric acid, ester with trichloroisopropanol1,1,1-trichloropropan-2-yl 2-ethylbutanoateDTXSID10980501
Database identifiers
- CAS
63867-07-2- PubChem CID
- 44838
- DTXSID
DTXSID10980501
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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