1,1-Dimethylethyl (4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

CAS Registry Number®

125971-94-0

CAS Name

1,1-Dimethylethyl (4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

Molecular Formula

C14H23NO4

Molecular Mass

269.34

Cite this Page

1,1-Dimethylethyl (4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=125971-94-0 (retrieved 2024-11-24) (CAS RN: 125971-94-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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-/m1/s1

InChIKey

InChIKey=DPNRMEJBKMQHMC-GHMZBOCLSA-N

SMILES

C(C(OC(C)(C)C)=O)[C@@H]1OC(C)(C)O[C@H](CC#N)C1

Canonical SMILES

N#CCC1OC(OC(CC(=O)OC(C)(C)C)C1)(C)C

Other Names for this Substance

  • 1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-
  • 1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R-cis)-
  • 1,1-Dimethylethyl (4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
  • (6R-Cyanomethyl-2,2-dimethyl-[1,3]dioxan-4R-yl)acetic acid tert-butyl ester
  • ((4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-[1,3]dioxan-4-yl)acetic acid tert-butyl ester

CAS INSIGHTSTM
Hourglass and a clock