chempirical

P-tert-Butylcalix[4]arene

C44H56O4CAS 60705-62-6648.93 g/mol

Open in Covalent MOL file
OHOHHOHO
Phenol

Properties

Molecular formula
C44H56O4
Molar mass
648.93 g/mol
Exact mass
648.4179 Da
Melting point
342.5 °C
logP
10.38Crippen estimate
Polar surface area
80.9 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
60705-62-6
SMILES
CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C2
InChIKey
NVKLTRSBZLYZHK-UHFFFAOYSA-N
InChI
InChI=1S/C44H56O4/c1-41(2,3)33-17-25-13-27-19-34(42(4,5)6)21-29(38(27)46)15-31-23-36(44(10,11)12)24-32(40(31)48)16-30-22-35(43(7,8)9)20-28(39(30)47)14-26(18-33)37(25)45/h17-24,45-48H,13-16H2,1-12H3

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Names and synonyms

20 names · show all
  • Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol, 5,11,17,23-tetrakis(1,1-dimethylethyl)-
  • Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol, 5,11,17,23-tetra-tert-butyl-
  • 5,11,17,23-Tetrakis(1,1-dimethylethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol
  • Formaldehyde-p-tert-butylphenol cyclic tetramer
  • 5,11,17,23-Tetra-4-tert-butyl-25,26,27,28-tetrahydroxycalix[4]arene
  • 4-tert-Butylcalix[4]arene-25,26,27,28-tetrol
  • p-tert-Butylcalix[4]arene-25,26,27,28-tetrol
  • 5,11,17,23-Tetra-p-tert-butyl-25,26,27,28-tetrahydroxycalix(4)arene
  • p-tert-Butylcalix[4]arenetetrol
  • Tetra-p-tert-butyltetracalix[4]arene
  • 5,11,17,23-Tetra-tert-butylcalix[4]arene
  • 4-tert-Butylcalix[4]arene
  • 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrahydroxycalix[4]arene
  • NSC 344251
  • Tetra-tert-butylcalix[4]arene
  • tert-Butylcalix[4]arene
  • 25,26,27,28-Tetrahydroxy-p-tert-butylcalix[4]arene
  • 5,11,17,23-Tetra-(t-butyl)-25,26,27,28-tetrahydroxycalix[4]arene
  • CALX-B 4
  • 5,11,17,23-Tetra(tert-butyl)calix[4]arene-25,26,27,28-tetrol

Reactions

Work with P-tert-Butylcalix[4]arene

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-butylphenol732-26-356 % similar 2,2′-Methylenebis[4-methyl-6-tert-butylphenol]119-47-153 % similar 3,3′,5,5′-Tetrakis(1,1-dimethylethyl)[1,1′-biphenyl]-2,2′-diol6390-69-850 % similar 2,2′-Methylenebis[4-ethyl-6-tert-butylphenol]88-24-450 % similar 3,5-Di-tert-butylcatechol1020-31-148 % similar 5,5′-(1-Methylethylidene)bis[2-hydroxy-1,3-benzenedimethanol]3957-22-048 % similar 3,5-Di-tert-butylphenol1138-52-948 % similar 1,3,5-Tri-tert-butylbenzene1460-02-248 % similar

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

Elsewhere

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