Basic information
- CAS
5439-30-5- Standard SMILES
CCC(C)(C)OC(=O)CCl- InChIKey
KPFTZXFNGNJOQM-UHFFFAOYSA-N- Molecular formula
- C7H13ClO2
- Average molar mass
- 164.63 g/mol
- Monoisotopic mass
- 164.0604073
Names & identifiers
- Preferred name
- Acetic acid, chloro, 1,1-dimethylpropyl ester
- IUPAC
- 2-methylbutan-2-yl 2-chloroacetate
Names & synonyms
Acetic acid, chloro, 1,1-dimethylpropyl ester5439-30-5DTXSID10280013RefChem:316573DTXCID70231167KPFTZXFNGNJOQM-UHFFFAOYSA-N2-methylbutan-2-yl 2-chloroacetateNSC15094SCHEMBL12580852-methylbutan-2-yl chloroacetateNSC-15094AKOS006384119
Show more names
DS-013457
Database identifiers
- CAS
5439-30-5- PubChem CID
- 225546
- DTXSID
DTXSID10280013- Nikkaji
- J512.377A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 121
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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