Isotridecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate

C₃₀H₅₂O₃CAS 847488-62-4460.74 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃₀H₅₂O₃
Molar mass: 460.74 g/mol
Exact mass: 460.3916 Da
logP: 8.63Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 14

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

847488-62-4

SMILES

CC(C)CCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChIKey

OLGBEZPVDGIRFI-UHFFFAOYSA-N

InChI

InChI=1S/C30H52O3/c1-23(2)17-15-13-11-9-10-12-14-16-20-33-27(31)19-18-24-21-25(29(3,4)5)28(32)26(22-24)30(6,7)8/h21-23,32H,9-20H2,1-8H3

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Names and synonyms

2 names

Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, isotridecyl ester
Songnox 1077

Work with Isotridecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate

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

Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate2082-79-375 % similar Thiodiethylene bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)41484-35-965 % similar Pentaerythritol tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)6683-19-863 % similar 2,2′-Oxamidobis[ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]70331-94-162 % similar Antioxidant 24536443-68-259 % similar Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate6386-38-559 % similar Chiguard 5530104810-47-153 % similar Diisodecyl adipate27178-16-152 % similar

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

Same formula

Panaxadiol19666-76-3 (20S)-Protopanaxadiol30636-90-9

Elsewhere

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