chempirical

4-(1,1-Dimethylethoxy)benzaldehyde

C11H14O2CAS 57699-45-3178.23 g/mol

Open in Covalent MOL file
OO
AldehydeEther

Properties

Molecular formula
C11H14O2
Molar mass
178.23 g/mol
Exact mass
178.0994 Da
logP
2.68Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
57699-45-3
SMILES
CC(C)(C)Oc1ccc(C=O)cc1
InChIKey
VWSFZYXXQDKXKQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O2/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-8H,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • Benzaldehyde, 4-(1,1-dimethylethoxy)-
  • p-tert-Butoxybenzaldehyde
  • 4-tert-Butoxybenzaldehyde
  • 4-[(1,1-Dimethylethyl)oxy]benzaldehyde
  • 4-((2-Methylpropan-2-yl)oxy)benzaldehyde
  • 4-tert-Butyloxybenzaldehyde

Work with 4-(1,1-Dimethylethoxy)benzaldehyde

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

4-(Trifluoromethoxy)benzaldehyde659-28-960 % similar 1-(1,1-Dimethylethoxy)-4-ethenylbenzene95418-58-960 % similar 4-Anisaldehyde123-11-555 % similar 4-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde35295-36-453 % similar 4-Ethoxybenzaldehyde10031-82-050 % similar 4-[(Trimethylsilyl)oxy]benzaldehyde1012-12-050 % similar 4-Isopropoxybenzaldehyde18962-05-550 % similar 4-tert-Butylbenzaldehyde939-97-950 % similar

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

Same formula

Benzyl isobutyrate103-28-6 Benzyl butyrate103-37-7 4-(4-Methoxyphenyl)-2-butanone104-20-1 1-Phenylethyl propionate120-45-6 Isobutyl benzoate120-50-3 2-Phenethyl propionate122-70-3 3-Phenylpropyl acetate122-72-5 Butyl benzoate136-60-7

Elsewhere

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