chempirical

2-[1-[3,5-Bis(1,1-dimethylpropyl)-2-hydroxyphenyl]ethyl]-4,6-bis(1,1-dimethylpropyl)phenyl 2-propenoate

C37H56O3CAS 123968-25-2548.85 g/mol

Open in Covalent MOL file
OOHO
AlkeneEsterPhenol

Properties

Molecular formula
C37H56O3
Molar mass
548.85 g/mol
Exact mass
548.4229 Da
logP
10.39Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
12

Identifiers

CAS number
123968-25-2
SMILES
C=CC(=O)Oc1c(C(C)c2cc(C(C)(C)CC)cc(C(C)(C)CC)c2O)cc(C(C)(C)CC)cc1C(C)(C)CC
InChIKey
STLLXWLDRUVCHL-UHFFFAOYSA-N
InChI
InChI=1S/C37H56O3/c1-15-31(38)40-33-28(21-26(35(9,10)17-3)23-30(33)37(13,14)19-5)24(6)27-20-25(34(7,8)16-2)22-29(32(27)39)36(11,12)18-4/h15,20-24,39H,1,16-19H2,2-14H3

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Names and synonyms

12 names
  • 2-Propenoic acid, 2-[1-[3,5-bis(1,1-dimethylpropyl)-2-hydroxyphenyl]ethyl]-4,6-bis(1,1-dimethylpropyl)phenyl ester
  • Sumilizer GS
  • 2-[1-(2-Hydroxy-3,5-di-tert-pentylphenyl)ethyl]-4,6-di-tert-pentylphenyl acrylate
  • 2,2′-Ethylidenebis(4,6-di-tert-amylphenol) monoacrylate
  • Sumilizer GS(F)
  • KY 500
  • KY 500 (Japanese antioxidant)
  • Antioxidant GS
  • HS 248P
  • Sumiriser GS
  • 2-[1-(2-Hydroxy-3,5-di-tert-pentylphenyl)ethyl]-4,6-tert-pentylphenyl acrylate
  • MileOx 549GS

Work with 2-[1-[3,5-Bis(1,1-dimethylpropyl)-2-hydroxyphenyl]ethyl]-4,6-bis(1,1-dimethylpropyl)phenyl 2-propenoate

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-tert-Butyl-6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-methylphenyl acrylate61167-58-640 % similar 2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butanoic acid13403-01-536 % similar Uv-32825973-55-135 % similar 2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]acetic acid13402-96-534 % similar 4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butanoic acid50772-35-532 % similar 2-Amino-4-(1,1-dimethylpropyl)-6-nitrophenol83488-02-232 % similar 2,4,6-Tribromophenyl acrylate3741-77-331 % similar Trimethylolpropane triacrylate15625-89-530 % similar

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

Elsewhere

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