CALIX[4]ARENE-BIS(T-OCTYLBENZO-CROWN-6)

CAS

220969-34-6

Catalog Number

ACM220969346

Category

Main Products

Molecular Weight

1149.51

Molecular Formula

C72H92O12

MSDS COA Spec Sheet

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Specification

Appearance

Solid

What is the molecular formula of calix[4]arene-bis(t-octylbenzo-crown-6)?

The molecular formula is C72H92O12.

What is the molecular weight of calix[4]arene-bis(t-octylbenzo-crown-6)?

The molecular weight is 1149.5 g/mol.

What is the IUPAC name of calix[4]arene-bis(t-octylbenzo-crown-6)?

The IUPAC name is 12,45-bis(2,4,4-trimethylpentan-2-yl)-3,6,9,16,19,22,36,39,42,49,52,55-dodecaoxanonacyclo[32.32.1.124,57.02,63.010,15.023,28.030,35.043,48.056,61]octahexaconta-1(66),2(63),10(15),11,13,23,25,27,30(35),31,33,43(48),44,46,56,58,60,64-octadecaene.

What is the InChI of calix[4]arene-bis(t-octylbenzo-crown-6)?

The InChI is InChI=1S/C72H92O12/c1-69(2,3)49-71(7,8)59-23-25-61-63(47-59)79-37-29-75-33-41-83-67-55-19-13-21-57(67)46-58-22-14-20-56-45-53-17-11-15-51(65(53)81-39-31-73-27-35-77-61)43-52-16-12-18-54(44-55)66(52)82-40-32-74-28-36-78-62-26-24-60(72(9,10)50-70(4,5)6)48-64(62)80-38-30-76-34-42-84-68(56)58/h11-26,47-48H,27-46,49-50H2,1-10H3.

What is the InChIKey of calix[4]arene-bis(t-octylbenzo-crown-6)?

The InChIKey is VYQLJFDSOOIINU-UHFFFAOYSA-N.

What is the Canonical SMILES of calix[4]arene-bis(t-octylbenzo-crown-6)?

The Canonical SMILES is CC(C)(C)CC(C)(C)C1=CC2=C(C=C1)OCCOCCOC3=C4CC5=C6C(=CC=C5)CC7=C(C(=CC=C7)CC8=CC=CC(=C8OCCOCCOC9=C(C=CC(=C9)C(C)(C)CC(C)(C)C)OCCOCCO6)CC3=CC=C4)OCCOCCO2.

What is the CAS number of calix[4]arene-bis(t-octylbenzo-crown-6)?

The CAS number is 220969-34-6.

What is the molecular weight of calix[4]arene-bis(t-octylbenzo-crown-6) calculated by PubChem?

The molecular weight is 1149.5 g/mol.

What is the hydrogen bond donor count of calix[4]arene-bis(t-octylbenzo-crown-6) calculated by Cactvs?

The hydrogen bond donor count is 0.

Is calix[4]arene-bis(t-octylbenzo-crown-6) a covalently-bonded unit?

Yes, calix[4]arene-bis(t-octylbenzo-crown-6) is a covalently-bonded unit.

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