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

C12H16OCAS 105612-79-1176.26 g/mol

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O
AlkeneEther

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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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Names and synonyms

5 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
  • 3-T-Butoxystyrene

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 tert-Butoxybenzene6669-13-248 % similar 3-Methylstyrene100-80-147 % similar 3-Chlorostyrene2039-85-244 % similar 3-Fluorostyrene350-51-644 % similar 3-Aminostyrene15411-43-543 % similar 3-Bromostyrene2039-86-343 % similar 4-(1,1-Dimethylethoxy)benzaldehyde57699-45-341 % 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 Pentamethylbenzaldehyde17432-38-1 1-Phenyl-2-hexanone25870-62-6 1-Phenylhexan-3-one29898-25-7

Elsewhere

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