chempirical

2-Ethyl-2-methyl-1,3-dioxolane

C6H12O2CAS 126-39-6116.16 g/mol

Open in Covalent MOL file
OO
AcetalEther

Properties

Molecular formula
C6H12O2
Molar mass
116.16 g/mol
Exact mass
116.0837 Da
Density
0.9374 g/mL (at 20 °C)
Boiling point
115.4–116.2 °C (at 763 Torr)
logP
1.16Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
126-39-6
SMILES
CCC1(C)OCCO1
InChIKey
UPZFLZYXYGBAPL-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O2/c1-3-6(2)7-4-5-8-6/h3-5H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names
  • 1,3-Dioxolane, 2-ethyl-2-methyl-
  • 2-Ethyl-2-methyldioxolane
  • 2-Methyl-2-ethyl-1,3-dioxolane
  • 2-Methyl-2-ethyldioxolane
  • 2-Butanone ethylene ketal
  • 2-Butanone, cyclic 1,2-ethanediyl acetal
  • NSC 829

Work with 2-Ethyl-2-methyl-1,3-dioxolane

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

2,2-Bis(tert-butylperoxy)butane2167-23-948 % similar 2,2-Dimethyl-1,3-dioxolane2916-31-640 % similar Fructone6413-10-140 % similar Triethyl orthopropionate115-80-036 % similar 1,1,1-Trimethoxypropane24823-81-236 % similar 3,3-Dimethylpentane562-49-235 % similar 2,2-Dimethylbutane75-83-235 % similar 2-(2-Ethoxyethoxy)-2-methylpropane51422-54-935 % similar

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

Same formula

2-(Hydroxymethyl)tetrahydropyran100-72-1 3-Methylpentanoic acid105-43-1 sec-Butyl acetate105-46-4 Ethyl butyrate105-54-4 Propyl propanoate106-36-5 3,3-Dimethylbutanoic acid1070-83-3 Isobutyl acetate110-19-0 Isoamyl formate110-45-2

Elsewhere

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