chempirical

2,5-Bis(1,1,3,3-tetramethylbutyl)-1,4-benzenediol

C22H38O2CAS 903-19-5334.54 g/mol

Open in Covalent MOL file
OHHO
Phenol

Properties

Molecular formula
C22H38O2
Molar mass
334.54 g/mol
Exact mass
334.2872 Da
Melting point
128.5–129.5 °C
logP
6.53Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
903-19-5
SMILES
CC(C)(C)CC(C)(C)c1cc(O)c(C(C)(C)CC(C)(C)C)cc1O
InChIKey
CLDZVCMRASJQFO-UHFFFAOYSA-N
InChI
InChI=1S/C22H38O2/c1-19(2,3)13-21(7,8)15-11-18(24)16(12-17(15)23)22(9,10)14-20(4,5)6/h11-12,23-24H,13-14H2,1-10H3

Weigh it out

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

Names and synonyms

8 names
  • 1,4-Benzenediol, 2,5-bis(1,1,3,3-tetramethylbutyl)-
  • Hydroquinone, 2,5-bis(1,1,3,3-tetramethylbutyl)-
  • 2,5-Di-tert-octylhydroquinone
  • 2,5-Bis(1,1,3,3-tetramethylbutyl)hydroquinone
  • 88HQ
  • 2,5-Di(1,1,3,3-tetramethylbutyl)hydroquinone
  • DOHQ
  • 2,5-Bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol

Work with 2,5-Bis(1,1,3,3-tetramethylbutyl)-1,4-benzenediol

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

2,5-Bis(1,1-dimethylpropyl)-1,4-benzenediol79-74-361 % similar 2,2′-Thiobis[4-(1,1,3,3-tetramethylbutyl)phenol]3294-03-950 % similar 2,5-Di-tert-butylhydroquinone88-58-448 % similar 4-tert-Octylphenol140-66-947 % similar 2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole123307-21-141 % similar 2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole3147-75-941 % similar Triton X-1009002-93-135 % similar Ethylene oxide-formaldehyde-4-(1,1,3,3-tetramethylbutyl)phenol copolymer25301-02-435 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook