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4-tert-Butylcalix[4]arene

Molecular FormulaC₄₄H₅₆O₄
Average mass648.913 Da
Monoisotopic mass648.417847 Da
ChemSpider ID297205

More details:

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-tert-Butylcalix[4]arene

5,11,17,23-Tetrakis(2-methyl-2-propanyl)pentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-25,26,27,28-tetrol [German] [ACD/IUPAC Name]

5,11,17,23-Tetrakis(2-methyl-2-propanyl)pentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol [ACD/IUPAC Name]

5,11,17,23-Tétrakis(2-méthyl-2-propanyl)pentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodécaène-25,26,27,28-tétrol [French] [ACD/IUPAC Name]

5,11,17,23-Tetratert-butylpentacyclo(19.3.1.1(3,7).1(9,13).1(15,19))octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol

5,11,17,23-Tetratert-butylpentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol

5,11,17,23-Tetra-tert-butylpentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol

5,11,17,23-tetra-tert-butylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol

60705-62-6 [RN]

MFCD00066280 [MDL number]

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Pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]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[19.3.1.1^3,7.1^9,13.1^15,19]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)- [ACD/Index Name]

p-tert-Butylcalix[4]arene

[104-54-1] [RN]

[60705-62-6] [RN]

104-54-1 [RN]

157432-87-6 [RN]

203-212-3 [EINECS]

288302-11-4 [RN]

3-Phenyl-2-propen-1-ol [ACD/IUPAC Name]

4-t-butylcalix[4]arene

5,11,17,23-tetra(tert-butyl)pentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octac osa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-te traol

5,11,17,23-tetrakis(tert-butyl)pentacyclo[19.3.1.1<3,7>.1<9,13>.1<15,19>]octac osa-1(24),3(26),4,6,9(27),10,12,15(28),16,18,21(25),22-dodecaene-25,26,27,28-t etraol

5,11,17,23-tetrakis(tert-butyl)pentacyclo[19.3.1.1<3,7>.1<9,13>.1<15,19>]octac osa-1(25),3,5,7(26),9(27),10,12,15,17,19(28),21,23-dodecaene-25,26,27,28-tetra ol

5,11,17,23-tetrakis(tert-butyl)pentacyclo[19.3.1.1<3,7>.1<9,13>.1<15,19>]octacosa-1(24),3(26),4,6,9(27),10,12,15(28),16,18,21(25),22-dodecaene-25,26,27,28-tetraol

5,11,17,23-tetrakis(tert-butyl)pentacyclo[19.3.1.1<3,7>.1<9,13>.1<15,19>]octacosa-1(25),3,5,7(26),9(27),10,12,15,17,19(28),21,23-dodecaene-25,26,27,28-tetraol

5,11,17,23-Tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene

5,11,17,23-tetra-tert-butylpentacyclo[19.3.1.1?,?.1?,??.1??,??]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol

5,11,17,23-tetra-tert-butylpentacyclo[19.3.1.1?,?.1?,??.1??,??]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol

5,11,17,23-tetra-tert-butylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25, 26,27,28-tetrol

612-010-8 [EINECS]

65550-81-4 [RN]

Cinnamyl alcohol [Wiki]

GE2200000

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)-

Tetra-tert-butyl(tetrahydroxy)calix[4]arene

Less...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1903999 [DBID]

19720_FLUKA [DBID]

19721_FLUKA [DBID]

347523_ALDRICH [DBID]

AIDS129388 [DBID]

AIDS-129388 [DBID]

MFCD00002921 [DBID]

NSC 344251 [DBID]

NSC344251 [DBID]

ZINC04203206 [DBID]

More...

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  339-344 °C Alfa Aesar
  
  339-344 °C Alfa Aesar B21515

Miscellaneous

Safety:

Gas Chromatography
- Retention Index (Kovats):
  
  5294 (estimated with error: 174) NIST Spectra mainlib_245778, replib_159781

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.1±0.1 g/cm³
Boiling Point:	683.1±55.0 °C at 760 mmHg
Vapour Pressure:	0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization:	103.8±3.0 kJ/mol
Flash Point:	252.6±26.1 °C
Index of Refraction:	1.582
Molar Refractivity:	197.9±0.3 cm³
#H bond acceptors:	4
#H bond donors:	4
#Freely Rotating Bonds:	4
#Rule of 5 Violations:	2

ACD/LogP:	12.13
ACD/LogD (pH 5.5):	10.78
ACD/BCF (pH 5.5):	1000000.00
ACD/KOC (pH 5.5):	10000000.00
ACD/LogD (pH 7.4):	10.78
ACD/BCF (pH 7.4):	1000000.00
ACD/KOC (pH 7.4):	10000000.00
Polar Surface Area:	81 Å²
Polarizability:	78.4±0.5 10^-24cm³
Surface Tension:	41.7±3.0 dyne/cm
Molar Volume:	592.6±3.0 cm³

Click to predict properties on the Chemicalize site

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4-tert-Butylcalix[4]arene

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Experimental Melting Point:

Safety:

Retention Index (Kovats):

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