1,1-Diethoxyethene

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
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 4.00 (q, J = 7.0 Hz, 4H), 2.97 (s, 2H), 1.36 (t, J = 7.0 Hz, 6H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 177.3, 62.7, 48.0, 14.8.
[M + H]+
[M + H]+ Calcd for C6H13O2 117.0910
[M + Na]+
[M + Na]+ Calcd for C6H12NaO2 139.0730
[M − H]−
[M − H]− Calcd for C6H11O2 115.0765
Elemental analysis
Anal. Calcd for C6H12O2: C, 62.04; H, 10.41.

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Names and synonyms

2 names
  • 1,1-Diethoxyethylene
  • Ketene diethylacetal

Reactions

Work with 1,1-Diethoxyethene

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

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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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