Basic information
- CAS
54845-24-8- Standard SMILES
CCOC(=O)C(Cl)(Cl)C(C)C- InChIKey
JYPSGRUTYXLTNQ-UHFFFAOYSA-N- Molecular formula
- C7H12Cl2O2
- Average molar mass
- 199.07 g/mol
- Monoisotopic mass
- 198.021435
Names & identifiers
- Preferred name
- Ethyl 2,2-dichloro-3-methylbutanoate
- IUPAC
- ethyl 2,2-dichloro-3-methylbutanoate
- English name
- 2,2-Dichloro-3-methylbutyric acid ethyl ester
- Molecular formula
- C7H12Cl2O2
- Molecular weight
- 199.07
Names & synonyms
Ethyl 2,2-dichloro-3-methylbutanoate54845-24-8DTXSID30342268RefChem:342144DTXCID902933482,2-Dichloro-3-methylbutyric acid ethyl esterButanoic acid, 2,2-dichloro-3-methyl-, ethyl esterJYPSGRUTYXLTNQ-UHFFFAOYSA-NEthyl 2,2-dichloro-3-methylbutanoate #DB-312970
Database identifiers
- CAS
54845-24-8- PubChem CID
- 580331
- DTXSID
DTXSID30342268- Nikkaji
- J99.589D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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