(3,3-Diethoxy-1-propen-1-yl)benzene

C₁₃H₁₈O₂CAS 7148-78-9206.28 g/mol

Open in Covalent MOL file

Acetal Alkene Ether

Properties

Molecular formula: C₁₃H₁₈O₂
Molar mass: 206.28 g/mol
Exact mass: 206.1307 Da
Boiling point: 126–127 °C (at 10 Torr)
logP: 3.10Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Identifiers

CAS number

7148-78-9

SMILES

CCOC(C=Cc1ccccc1)OCC

InChIKey

VYKDEWVAUWARRX-UHFFFAOYSA-N

InChI

InChI=1S/C13H18O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-11,13H,3-4H2,1-2H3

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

Names and synonyms

6 names

Benzene, (3,3-diethoxy-1-propen-1-yl)-
Cinnamaldehyde, diethyl acetal
Benzene, (3,3-diethoxy-1-propenyl)-
Benzene, (3,3-diethoxypropenyl)-
(3,3-Diethoxy-1-propenyl)benzene
NSC 53852

Work with (3,3-Diethoxy-1-propen-1-yl)benzene

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

(Diethoxymethyl)benzene774-48-148 % similar 1,1-Diethoxy-2-butene10602-34-348 % similar Ethyl cinnamate103-36-646 % similar (3,3-Diethoxy-1-propyn-1-yl)benzene6142-95-646 % similar [2-(1-Ethoxyethoxy)ethyl]benzene2556-10-743 % similar 1,1-Diethoxy-2-hexene54306-00-242 % similar (E)-Stilbene103-30-042 % similar (Z)-Stilbene645-49-842 % similar

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

Same formula

Isoamyl phenylacetate102-19-2 1-Adamantylacrylate121601-93-2 Phenylethyl isovalerate140-26-1 1-(4-Hydroxyphenyl)-1-heptanone14392-72-4 Ibuprofen15687-27-1 3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-6-yl propionate17511-60-3 4-Hexylbenzoic acid21643-38-9 Phenylethyl 2-methylbutyrate24817-51-4

Elsewhere

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