chempirical

5-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

C8H10O5CAS 15568-85-1186.16 g/mol

Open in Covalent MOL file
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AcetalAlkeneEsterEtherLactone

Properties

Molecular formula
C8H10O5
Molar mass
186.16 g/mol
Exact mass
186.0528 Da
logP
0.35Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
1

Identifiers

CAS number
15568-85-1
SMILES
CC1(OC(=O)C(=COC)C(=O)O1)C
InChIKey
DVLSQHLXPRYYRC-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O5/c1-8(2)12-6(9)5(4-11-3)7(10)13-8/h4H,1-3H3

Weigh it out

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

Work with 5-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

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

1,3-Dimethyl 2-(methoxymethylene)propanedioate22398-14-757 % similar 2,2,6-Trimethyl-4H-1,3-dioxin-4-one5394-63-834 % similar Diethyl (ethoxymethylene)malonate87-13-834 % similar 2,2,5-Trimethyl-1,3-dioxane-4,6-dione3709-18-033 % similar 6,6-Dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione5617-70-933 % similar

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

Same formula

Diallyl dicarbonate115491-93-5 (2-Oxo-1,3-dioxolan-4-yl)methyl 2-methyl-2-propenoate13818-44-5 Endothall145-73-3 4-Hydroxymandelic acid monohydrate184901-84-6 2',4',6'-Trihydroxyacetophenone monohydrate249278-28-2

Elsewhere

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