Ethanol, 2-chloro, 3-methylbutanoate
Basic information
- CAS
5452-00-6- Standard SMILES
CC(C)CC(=O)OCCCl- InChIKey
JYHBZBYMWFDQQQ-UHFFFAOYSA-N- Molecular formula
- C7H13ClO2
- Average molar mass
- 164.63 g/mol
- Monoisotopic mass
- 164.0604073
Names & identifiers
- Preferred name
- Ethanol, 2-chloro, 3-methylbutanoate
- IUPAC
- 2-chloroethyl 3-methylbutanoate
Names & synonyms
Ethanol, 2-chloro, 3-methylbutanoate5452-00-6DTXSID70281526RefChem:340942DTXCID80232680Butanoic acid, 3-methyl, 2-chloroethyl ester2-chloroethyl 3-methylbutanoateNSC21887SCHEMBL25755675JYHBZBYMWFDQQQ-UHFFFAOYSA-NNSC-21887AKOS006384258
Database identifiers
- CAS
5452-00-6- PubChem CID
- 228765
- DTXSID
DTXSID70281526
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 102
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Related reactions
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Compound notes
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