Basic information
- CAS
5458-23-1- Standard SMILES
CCCC(C)(C)COC(=O)CCl- InChIKey
XQQDGXKOOHJIFR-UHFFFAOYSA-N- Molecular formula
- C9H17ClO2
- Average molar mass
- 192.68 g/mol
- Monoisotopic mass
- 192.0917075
Names & identifiers
- Preferred name
- 2,2-Dimethylpentyl 2-chloroacetate
- IUPAC
- 2,2-dimethylpentyl 2-chloroacetate
- English name
- 2,2-dimethylpentyl 2-chloroacetate
- Molecular formula
- C9H17ClO2
- Molecular weight
- 192.68
Names & synonyms
5458-23-12,2-dimethylpentyl 2-chloroacetate2,2-dimethylpentyl chloroacetateNSC23536DTXSID80281936NSC-23536Acetic acid, 2-chloro-, 2,2-dimethylpentyl ester
Database identifiers
- CAS
5458-23-1- PubChem CID
- 229697
- DTXSID
DTXSID80281936
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 205.5 · 205.5±8.0 °C(Predicted)
- Density
- 1.003 · 1.003±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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