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

C8H10O5CAS 85920-63-4186.16 g/mol

Open in Covalent MOL file
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AcetalAlkeneEsterLactone

Properties

Molecular formula
C8H10O5
Molar mass
186.16 g/mol
Exact mass
186.0528 Da
logP
0.65Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
85920-63-4
SMILES
CC(=C1C(=O)OC(OC1=O)(C)C)O
InChIKey
WIIDJHLROTYVRD-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O5/c1-4(9)5-6(10)12-8(2,3)13-7(5)11/h9H,1-3H3

Weigh it out

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

Work with 5-(1-Hydroxyethylidene)-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

5-(1-Hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione764667-64-341 % similar Meldrum's acid2033-24-135 % similar 2,2,6-Trimethyl-4H-1,3-dioxin-4-one5394-63-834 % 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 tert-Butyl methacrylate585-07-931 % similar Dimethadione695-53-431 % 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 5-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione15568-85-1 4-Hydroxymandelic acid monohydrate184901-84-6 2',4',6'-Trihydroxyacetophenone monohydrate249278-28-2

Elsewhere

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