chempirical

4,5-Dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate

C9H14O6CAS 37031-29-1218.20 g/mol

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AcetalEsterEther

Properties

Molecular formula
C9H14O6
Molar mass
218.20 g/mol
Exact mass
218.0790 Da
Melting point
40–43 °C
Boiling point
120–122 °C (at 8 Torr)
logP
-0.15Crippen estimate
Polar surface area
71.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
2
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
37031-29-1
SMILES
COC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)OC
InChIKey
ROZOUYVVWUTPNG-PHDIDXHHSA-N
InChI
InChI=1S/C9H14O6/c1-9(2)14-5(7(10)12-3)6(15-9)8(11)13-4/h5-6H,1-4H3/t5-,6-/m1/s1

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Names and synonyms

11 names
  • 1,3-Dioxolane-4,5-dicarboxylic acid, 2,2-dimethyl-, 4,5-dimethyl ester, (4R,5R)-
  • 1,3-Dioxolane-4,5-dicarboxylic acid, 2,2-dimethyl-, dimethyl ester, (4R-trans)-
  • 1,3-Dioxolane-4,5-dicarboxylic acid, 2,2-dimethyl-, dimethyl ester, (4R,5R)-
  • Dimethyl 2,3-O-isopropylidene-L-tartrate
  • (-)-Dimethyl-2,3-O-isopropylidene-L-tartrate
  • Dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
  • Dimethyl (4R,5R)-2,2,dimethyl-1,3-dioxolane-4,5-dicarboxylate
  • (4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-dicarboxylic acid dimethyl ester
  • Dimethyl L-tartarte acetonide
  • Dimethyl 2,3-O-isopropylidene L-tartrate
  • 2,3-Di-O-isopropylidene-L-tartrate

Work with 4,5-Dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-O-Isopropylidene-D-glyceric acid methyl ester52373-72-555 % similar Methyl (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate60456-21-555 % similar Methyl cyclopentanecarboxylate4630-80-245 % similar Methyl isobutyrate547-63-744 % similar Dimethyl methylmalonate609-02-944 % similar Methyl cyclohexanecarboxylate4630-82-443 % similar 2,3-O-Isopropylidene-D-ribonolactone30725-00-943 % similar Methyl dichloroacetate116-54-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Triacetin102-76-1 4,5-Dimethyl (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate37031-30-4

Elsewhere

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