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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H23NO4
Molecular Weight 269.3367
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl 2-((4S,6S)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

SMILES

CC(C)(C)OC(=O)C[C@@H]1C[C@H](CC#N)OC(C)(C)O1

InChI

InChIKey=DPNRMEJBKMQHMC-QWRGUYRKSA-N
InChI=1S/C14H23NO4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11/h10-11H,6,8-9H2,1-5H3/t10-,11-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
(4S,6S)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid tert-Butyl Ester
Preferred Name English
tert-Butyl 2-((4S,6S)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
Systematic Name English
1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S-cis)-
Systematic Name English
1,1-Dimethylethyl (4S,6S)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
Systematic Name English
1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S,6S)-
Systematic Name English
Code System Code Type Description
FDA UNII
CK3Z5Q9NG5
Created by admin on Wed Apr 02 18:18:45 GMT 2025 , Edited by admin on Wed Apr 02 18:18:45 GMT 2025
PRIMARY
PUBCHEM
40423490
Created by admin on Wed Apr 02 18:18:45 GMT 2025 , Edited by admin on Wed Apr 02 18:18:45 GMT 2025
PRIMARY
CAS
196085-85-5
Created by admin on Wed Apr 02 18:18:45 GMT 2025 , Edited by admin on Wed Apr 02 18:18:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID40654081
Created by admin on Wed Apr 02 18:18:45 GMT 2025 , Edited by admin on Wed Apr 02 18:18:45 GMT 2025
PRIMARY
NIH
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