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

HCID 11637184
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Basic information

Standard SMILES
CC(C)(C)OC(=O)CC(=O)CC(O)CC#N
InChIKey
CCQZKUWBWPJBPY-UHFFFAOYSA-N
Molecular formula
C11H17NO4
Average molar mass
227.26 g/mol
Monoisotopic mass
227.11575802

Names & identifiers

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

Names & synonyms

tert-butyl 6-cyano-5-hydroxy-3-oxohexanoateTert-butyl 6-cyano-5-hydroxy-3-oxo-hexanoate848644-99-5SCHEMBL583479CCQZKUWBWPJBPY-UHFFFAOYSA-NSB46600DB-3216791,1-dimethylethyl 6-cyano-5-hydroxy-3-oxohexanoate

Database identifiers

PubChem CID
11637184

Properties

Computed structural properties

XLogP
0
Topological polar surface area
87.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
16

Related reactions

31 records
New reaction record

Compound notes

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