Basic information
- Standard SMILES
CC(C)(C)OC(=O)CC(O)CC(O)CCl- InChIKey
FIKPWJZUGTVXCO-UHFFFAOYSA-N- Molecular formula
- C10H19ClO4
- Average molar mass
- 238.71 g/mol
- Monoisotopic mass
- 238.0971868
Names & identifiers
- Preferred name
- (3R,5S)-tert-Butyl 6-chloro-3,5-dihydroxyhexanoate
- IUPAC
- tert-butyl 6-chloro-3,5-dihydroxyhexanoate
Names & synonyms
(3R,5S)-tert-Butyl 6-chloro-3,5-dihydroxyhexanoatetert-Butyl(3S,4R)-6-Chloro-3,5-dihydroxyhexanoatetert-Butyl(3S,5S)-6-Chloro-3,5-dihydroxyhexanoateSCHEMBL3375896ANA47128EGA02693SB48319tert-butyl 6-chloro-3,5-dihydroxy-hexanoate
Database identifiers
- PubChem CID
- 22471889
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 200
Related reactions
4 records
Compound notes
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