1,1-Dimethylethyl 6-cyano-3,5-dihydroxyhexanoate

HCID 22282997
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Basic information

Standard SMILES
CC(C)(C)OC(=O)CC(O)CC(O)CC#N
InChIKey
NQTYMGFSEOSJKM-UHFFFAOYSA-N
Molecular formula
C11H19NO4
Average molar mass
229.27 g/mol

Names & identifiers

Preferred name
1,1-Dimethylethyl 6-cyano-3,5-dihydroxyhexanoate
IUPAC
tert-butyl 6-cyano-3,5-dihydroxyhexanoate

Names & synonyms

SCHEMBL711473NQTYMGFSEOSJKM-UHFFFAOYSA-N1,1-dimethylethyl 6-cyano-3,5-dihydroxyhexanoate

Database identifiers

PubChem CID
22282997

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
90.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
16

Related reactions

39 records
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Compound notes

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