chempirical

3,5-Di-tert-butylsalicylaldehyde

C15H22O2CAS 37942-07-7234.34 g/mol

Open in Covalent MOL file
OOH
AldehydePhenol

Properties

Molecular formula
C15H22O2
Molar mass
234.34 g/mol
Exact mass
234.1620 Da
Melting point
61.5–63 °C
logP
3.80Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
37942-07-7
SMILES
CC(C)(C)c1cc(C=O)c(O)c(C(C)(C)C)c1
InChIKey
RRIQVLZDOZPJTH-UHFFFAOYSA-N
InChI
InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6/h7-9,17H,1-6H3

Weigh it out

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

Names and synonyms

13 names · show all
  • Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-2-hydroxy-
  • Salicylaldehyde, 3,5-di-tert-butyl-
  • 3,5-Bis(1,1-dimethylethyl)-2-hydroxybenzaldehyde
  • 2-Hydroxy-3,5-di-tert-butylbenzaldehyde
  • 3,5-Di-tert-butyl-2-hydroxybenzaldehyde
  • 3,5-Di-tert-butylsalicylic aldehyde
  • 3,5-Bis(tert-butyl)salicylaldehyde
  • 3,5-Di-t-butylsalicylaldehyde
  • 3,5-Di-t-butyl-2-hydroxybenzaldehyde
  • 3,5-tert-Butyl-2-hydroxybenzaldehyde
  • 2-Hydroxy-3,5-bis(tert-butyl)benzaldehyde
  • 3,5-Bis-tert-butyl-2-hydroxybenzaldehyde
  • 3,5-Ditert-butyl-2-hydroxybenzaldehyde

Work with 3,5-Di-tert-butylsalicylaldehyde

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

2,4,6-Tri-tert-butylphenol732-26-363 % similar 3,3′,5,5′-Tetrakis(1,1-dimethylethyl)[1,1′-biphenyl]-2,2′-diol6390-69-858 % similar 3,5-Di-tert-butylcatechol1020-31-156 % similar 2,2′-[(1S,2S)-1,2-Cyclohexanediylbis[(E)-nitrilomethylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenol135616-36-353 % similar (R,R)-2,2′-[(1,2-Cyclohexanediyl)bis(nitrilomethylidyne)]bis[4,6-di(tert-butyl)phenol]135616-40-953 % similar 2-Bromo-4,6-di-tert-butylphenol20834-61-153 % similar 4-tert-Butyl-2-hydroxybenzaldehyde66232-34-651 % similar 3,5-Bis(1,1-dimethylethyl)-2-hydroxybenzoic acid19715-19-650 % similar

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

Same formula

3,5-Di-tert-butyl-4-hydroxybenzaldehyde1620-98-0 3,5-Bis(1,1-dimethylethyl)benzoic acid16225-26-6 2-Methyl-2-adamantyl methacrylate177080-67-0 Curcumenol19431-84-6 4-(Octyloxy)benzaldehyde24083-13-4 Valerenic acid3569-10-6 4-Octylbenzoic acid3575-31-3 4-Methylphenyl octanoate59558-23-5

Elsewhere

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