1,3-Dimethyl 2-(methoxymethylene)propanedioate

C₇H₁₀O₅CAS 22398-14-7174.15 g/mol

Open in Covalent MOL file

Alkene Ester Ether

Properties

Molecular formula: C₇H₁₀O₅
Molar mass: 174.15 g/mol
Exact mass: 174.0528 Da
logP: -0.14Crippen estimate
Polar surface area: 61.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction66.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

22398-14-7

SMILES

COC=C(C(=O)OC)C(=O)OC

InChIKey

RHFZTBSULNJWEI-UHFFFAOYSA-N

InChI

InChI=1S/C7H10O5/c1-10-4-5(6(8)11-2)7(9)12-3/h4H,1-3H3

Weigh it out

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

Names and synonyms

8 names

Propanedioic acid, 2-(methoxymethylene)-, 1,3-dimethyl ester
Malonic acid, (methoxymethylene)-, dimethyl ester
Propanedioic acid, (methoxymethylene)-, dimethyl ester
Dimethyl methoxymethylenemalonate
NSC 131266
Dimethyl 2-(methoxymethylene)malonate
Dimethyl 2-(methoxymethylene)propanedioate
1,3-Dimethyl 2-(methoxymethylidene)propanedioate

Work with 1,3-Dimethyl 2-(methoxymethylene)propanedioate

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-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione15568-85-157 % similar Dimethyl oxalate553-90-252 % similar Methyl pyruvate600-22-642 % similar Methyl tiglate6622-76-041 % similar Methyl oxalyl chloride5781-53-341 % similar 1,3-Dimethyl 2-[(4-methoxyphenyl)methylene]propanedioate7443-25-640 % similar Methyl methacrylate80-62-639 % similar Poly(methyl methacrylate)9011-14-739 % similar

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

Same formula

Dimethyl 2-oxoglutarate13192-04-6 Shikimic acid138-59-0 1,5-Dimethyl 3-oxopentanedioate1830-54-2 Maleic acid-methyl vinyl ether copolymer25153-40-6 Diethyl oxomalonate609-09-6 1,3-Diacetoxyacetone6946-10-7

Elsewhere

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