chempirical

Ketene diethylacetal

C6H12O2CAS 2678-54-8116.16 g/mol

Open in Covalent MOL file
OO
AlkeneEther

Properties

Molecular formula
C6H12O2
Molar mass
116.16 g/mol
Exact mass
116.0837 Da
logP
1.53Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Warning
Flammable (GHS02)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
2678-54-8
SMILES
CCOC(=C)OCC
InChIKey
VTGIVYVOVVQLRL-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O2/c1-4-7-6(3)8-5-2/h3-5H2,1-2H3

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Names and synonyms

2 names
  • 1,1-Diethoxyethene
  • 1,1-Diethoxyethylene

Reactions

Work with Ketene diethylacetal

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

2-Ethoxy-1-propene926-66-952 % similar Diethyl methylidenemalonate3377-20-652 % similar Diethyl oxalate95-92-150 % similar Ethyl methacrylate97-63-248 % similar 1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-445 % similar 2-Methylene-1,3-dioxepane69814-56-845 % similar Diethyl oxomalonate609-09-643 % similar Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-643 % similar

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

Same formula

2-(Hydroxymethyl)tetrahydropyran100-72-1 3-Methylpentanoic acid105-43-1 sec-Butyl acetate105-46-4 Ethyl butyrate105-54-4 Propyl propanoate106-36-5 3,3-Dimethylbutanoic acid1070-83-3 Isobutyl acetate110-19-0 Isoamyl formate110-45-2

Elsewhere

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