chempirical

Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate

C9H16O4CAS 6290-17-1188.22 g/mol

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AcetalEsterEther

Properties

Molecular formula
C9H16O4
Molar mass
188.22 g/mol
Exact mass
188.1049 Da
Boiling point
75–76 °C (at 4 Torr)
logP
1.09Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
6290-17-1
SMILES
CCOC(=O)CC1(C)OCC(C)O1
InChIKey
GSIXJEIRJVOUFB-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O4/c1-4-11-8(10)5-9(3)12-6-7(2)13-9/h7H,4-6H2,1-3H3

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Names and synonyms

6 names
  • 1,3-Dioxolane-2-acetic acid, 2,4-dimethyl-, ethyl ester
  • NSC 6547
  • Ethyl 2,4-dimethyl-1,3-dioxolane-2-carboxylate
  • 2,4-Dimethyl-2-[(ethoxycarbonyl)methyl]-1,3-dioxolane
  • Ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate
  • Fragolane

Work with Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate

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

Fructone6413-10-159 % similar Ethyl isovalerate108-64-541 % similar Triethyl citrate77-93-040 % similar Ethyl butyrate105-54-439 % similar Ethyl (2S)-2-oxiraneacetate112083-63-339 % similar Ethyl pivaloylacetate17094-34-739 % similar Diethyl malonate105-53-339 % similar Ethyl 3-hydroxybutyrate35608-64-138 % similar

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

Same formula

Azelaic acid123-99-9 Diisopropyl malonate13195-64-7 1,3-Diethyl 2-ethylpropanedioate133-13-1 Dipropylmalonic acid1636-27-7 Dimethyl pimelate1732-08-7 Dimethyl diethylmalonate27132-23-6 Ethyl 3,3-diethoxy-2-propenoate32002-24-7 1-(1,1-Dimethylethyl) 3-ethyl propanedioate32864-38-3

Elsewhere

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