chempirical

Ethyl 3,3-diethoxy-2-propenoate

C9H16O4CAS 32002-24-7188.22 g/mol

Open in Covalent MOL file
OOOO
AlkeneEsterEther

Properties

Molecular formula
C9H16O4
Molar mass
188.22 g/mol
Exact mass
188.1049 Da
Density
1.035 g/mL (at 13 °C)
Boiling point
127.8–128.2 °C (at 13 Torr)
logP
1.46Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6

Identifiers

CAS number
32002-24-7
SMILES
CCOC(=O)C=C(OCC)OCC
InChIKey
POJGRKZMYVJCST-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O4/c1-4-11-8(10)7-9(12-5-2)13-6-3/h7H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • 2-Propenoic acid, 3,3-diethoxy-, ethyl ester
  • Acrylic acid, 3-oxo-, ethyl ester, diethyl acetal
  • Ethyl β,β-diethoxyacrylate
  • Carbethoxyketene diethyl acetal
  • Ethyl 3,3-diethoxyacrylate
  • 3,3-Diethoxyacrylic acid ethyl ester

Work with Ethyl 3,3-diethoxy-2-propenoate

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

Ethyl 3,3-dimethylacrylate638-10-865 % similar Diethyl maleate141-05-963 % similar Diethyl fumarate623-91-663 % similar Ethyl β-aminocrotonate7318-00-559 % similar Ethyl glyoxylate924-44-758 % similar Ethyl acrylate140-88-556 % similar Ethyl trans-crotonate623-70-156 % similar Ethyl 3-ethoxy-2-propenoate1001-26-954 % similar

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

Same formula

Azelaic acid123-99-9 Diisopropyl malonate13195-64-7 1,3-Diethyl 2-ethylpropanedioate133-13-1 Dipropylmalonic acid1636-27-7 Dimethyl pimelate1732-08-7 Dimethyl diethylmalonate27132-23-6 1-(1,1-Dimethylethyl) 3-ethyl propanedioate32864-38-3 1-Ethyl heptanedioate33018-91-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook