1,1-Dimethylethyl (4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
Properties
- Molecular formula
- C14H23NO4
- Molar mass
- 269.34 g/mol
- Exact mass
- 269.1627 Da
- logP
- 2.54Crippen estimate
- Polar surface area
- 68.5 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 3
- Stereocentres
- R, Rin SMILES atom order
Identifiers
CAS number
125971-94-0SMILES
CC(C)(C)OC(=O)C[C@H]1C[C@@H](CC#N)OC(C)(C)O1InChIKey
DPNRMEJBKMQHMC-GHMZBOCLSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 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)-
- (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
Work with 1,1-Dimethylethyl (4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
Similar compounds
1,1-Dimethylethyl 2,4-dideoxy-3,5-O-(1-methylethylidene)-D-erythro-hexonate124655-09-067 % similar
1,1-Dimethylethyl (4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate125995-13-364 % similar
tert-Butyl 2-[(4R,6S)-2,2-dimethyl-6-[(methylcarbonyloxy)methyl]-1,3-dioxan-4-yl]acetate154026-95-661 % similar
tert-Butyl (4R-cis)-6-formaldehydel-2,2-dimethyl-1,3-dioxane-4-acetate124752-23-460 % similar
tert-Butyl cyanoacetate1116-98-954 % similar
1,3-Bis(1,1-dimethylethyl) propanedioate541-16-238 % similar
4-(1,1-Dimethylethyl) hydrogen L-aspartate3057-74-738 % similar
tert-Butyl propionate20487-40-537 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds