chempirical

Hexadecyl 3,5-di-tert-butyl-4-hydroxybenzoate

C31H54O3CAS 67845-93-6474.77 g/mol

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OOOH
EsterPhenol

Properties

Molecular formula
C31H54O3
Molar mass
474.77 g/mol
Exact mass
474.4073 Da
logP
9.63Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
16

Identifiers

CAS number
67845-93-6
SMILES
CCCCCCCCCCCCCCCCOC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey
NZYMWGXNIUZYRC-UHFFFAOYSA-N
InChI
InChI=1S/C31H54O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-29(33)25-23-26(30(2,3)4)28(32)27(24-25)31(5,6)7/h23-24,32H,8-22H2,1-7H3

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Names and synonyms

15 names · show all
  • Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, hexadecyl ester
  • Cyasorb UV 2908
  • Cyagard UV 2908
  • Palmityl 3,5-di-tert-butyl-4-hydroxybenzoate
  • UV 2908
  • Hexadecyl 4-hydroxy-3,5-di(tert-butyl)benzoate
  • Kemisorb 114
  • Songsorb 2908PW
  • Light stabilizer 2908
  • Hexadecyl 3,5-bis-tert-butyl-4-hydroxybenzoate
  • Cyasorb 2908
  • 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzoic acid hexadecyl ester
  • Sabostab UV 37
  • Antioxidant 2908
  • 3,5-Di-tert-butyl-4-hydroxybenzoic acid hexadecyl ester

Work with Hexadecyl 3,5-di-tert-butyl-4-hydroxybenzoate

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

Octyl gallate1034-01-168 % similar Stearyl gallate10361-12-368 % similar Dodecyl gallate1166-52-568 % similar Cetyl gallate5026-65-368 % similar Antioxidant 10762082-79-364 % similar Butyl gallate1083-41-660 % similar Methyl 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoate2511-22-057 % similar Hexyl 4-hydroxybenzoate1083-27-857 % similar

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

Elsewhere

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