Tert-butyl 6-chloro-5-hydroxy-3-oxohexanoate

HCID 4372076

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)(C)OC(=O)CC(=O)CC(O)CCl
InChIKey: WLRFCPQXWBDLRG-UHFFFAOYSA-N
Molecular formula: C10H17ClO4
Average molar mass: 236.69 g/mol
Monoisotopic mass: 236.0815367

Names & identifiers

Preferred name: Tert-butyl 6-chloro-5-hydroxy-3-oxohexanoate
IUPAC: tert-butyl 6-chloro-5-hydroxy-3-oxohexanoate

Names & synonyms

319924-73-7tert-butyl 6-chloro-5-hydroxy-3-oxohexanoate(+/-)-tert-Butyl 6-Chloro-5-hydroxy-3-oxohexanoate(+/-)-tert-Butyl6-Chloro-5-hydroxy-3-oxohexanoate6-Chloro-5-hydroxy-3-oxo-hexanoic Acid 1,1-Dimethylethyl Estertert-Butyl (S)-6-chloro-5-hydroxy-3-oxohexanoateSCHEMBL3439226SB48784tert-Butyl6-Chloro-(R)-hydroxy-3-oxohexanoateTERT-BUTYL (S)-6-CHLORO-5-HYDROXY-3-OXOHEXANO

Database identifiers

PubChem CID: 4372076

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 15
Formal charge: 0
Complexity: 232

Related reactions

6 records

New reaction record

HRID 120719As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 289634As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 669368As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1126219As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1149992As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2337131As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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