1-(1,1-Dimethylethoxy)-3-ethenylbenzene

C₁₂H₁₆OCAS 105612-79-1176.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₆O
Molar mass: 176.26 g/mol
Exact mass: 176.1201 Da
logP: 3.51Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

105612-79-1

SMILES

C=Cc1cccc(OC(C)(C)C)c1

InChIKey

LTGJSMARDKHZOY-UHFFFAOYSA-N

InChI

InChI=1S/C12H16O/c1-5-10-7-6-8-11(9-10)13-12(2,3)4/h5-9H,1H2,2-4H3

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

Names and synonyms

4 names

Benzene, 1-(1,1-dimethylethoxy)-3-ethenyl-
m-tert-Butoxystyrene
1-(tert-Butoxy)-3-ethenylbenzene
1-Ethenyl-3-[(2-methylpropan-2-yl)oxy]benzene

Work with 1-(1,1-Dimethylethoxy)-3-ethenylbenzene

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

1-(1,1-Dimethylethoxy)-4-ethenylbenzene95418-58-963 % similar 3-Methylstyrene100-80-147 % similar 3-Fluorostyrene350-51-644 % similar 3-Bromostyrene2039-86-343 % similar 4-(1,1-Dimethylethoxy)benzaldehyde57699-45-341 % similar 1,1-Dimethylethyl 4-ethenylphenyl carbonate87188-51-040 % similar (3-Vinylphenyl)boronic acid15016-43-039 % similar 4-Phenoxystyrene4973-29-939 % similar

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

Same formula

4-Cyclohexylphenol1131-60-8 2-Cyclohexylphenol119-42-6 1-[2-Methyl-5-(1-methylethyl)phenyl]ethanone1202-08-0 1-Phenylcyclohexanol1589-60-2 1-(4-Methylphenyl)-1-pentanone1671-77-8 1-Phenyl-2-hexanone25870-62-6 1-Phenyl-3-hexanone29898-25-7 (+)-trans-2-Phenylcyclohexanol34281-92-0

Elsewhere

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