chempirical

2,2-Dimethyl-1,3-dioxolane

C5H10O2CAS 2916-31-6102.13 g/mol

Open in Covalent MOL file
OO
AcetalEther

Properties

Molecular formula
C5H10O2
Molar mass
102.13 g/mol
Exact mass
102.0681 Da
Density
0.946 g/mL (at 15 °C)
Boiling point
92.5 °C
logP
0.77Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
2916-31-6
SMILES
CC1(C)OCCO1
InChIKey
SIJBDWPVNAYVGY-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O2/c1-5(2)6-3-4-7-5/h3-4H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • 1,3-Dioxolane, 2,2-dimethyl-
  • Acetone, cyclic ethylene acetal
  • Acetone ethylene ketal
  • Acetone ethylene acetal
  • NSC 86111
  • 2,2-Dimethyldioxolane

Work with 2,2-Dimethyl-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2-Diethoxypropane126-84-153 % similar 4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane57280-22-545 % similar 2-Ethyl-2-methyl-1,3-dioxolane126-39-640 % similar [2,2-Dimethyl-1,3-dioxan-5-yl)methanol4728-12-539 % similar 2,2-Dimethoxypropane77-76-935 % similar 2,2-Bis(1-methylethyl)-1,3-dioxolane4421-10-735 % similar 2-(2-Ethoxyethoxy)-2-methylpropane51422-54-935 % similar Isobutylene oxide558-30-533 % similar

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

Same formula

Ethyl propionate105-37-3 5-Hydroxy-2-pentanone1071-73-4 Isopropyl acetate108-21-4 Valeric acid109-52-4 Propyl acetate109-60-4 Ethylene glycol monoallyl ether111-45-5 4-Methyl-1,3-dioxane1120-97-4 3-Hydroxy-3-methyl-2-butanone115-22-0

Elsewhere

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