2-Isobutyl-3-oxo-4-chloro-2-butylcarbonate
Basic information
- CAS
81652-49-5- Standard SMILES
CC(C)COC(=O)OC(C)C(=O)CCl- InChIKey
QJLQILPHBFGJBF-UHFFFAOYSA-N- Molecular formula
- C9H15ClO4
- Average molar mass
- 222.66 g/mol
- Monoisotopic mass
- 222.0658866
Overview
chloromethyl ketone derivative of lactic acid; structure given in first source
Names & identifiers
- Preferred name
- 2-Isobutyl-3-oxo-4-chloro-2-butylcarbonate
- IUPAC
- (4-chloro-3-oxobutan-2-yl) 2-methylpropyl carbonate
- English name
- 2-isobutyl-3-oxo-4-chloro-2-butylcarbonate
- Molecular weight
- 0
Names & synonyms
2-Iocbc2-Isobutyl-3-oxo-4-chloro-2-butylcarbonate81652-49-5Carbonic acid, 3-chloro-1-methyl-2-oxopropyl 2-methylpropyl esterRefChem:87701(4-chloro-3-oxobutan-2-yl) 2-methylpropyl carbonateNSC336384NSC 336384SCHEMBL10830150NSC-336384
Database identifiers
- CAS
81652-49-5- PubChem CID
- 100134
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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