4-Tert-Butylcalix[4]Arene

• Catalog Number: ACM60705626-1
• Product Name: 4-Tert-Butylcalix[4]Arene
• CAS: 60705-62-6
• Category: Polymer/Macromolecule
• Synonyms: P-TERT-BUTYLCALIX[4]ARENE;TETRA-TERT-BUTYL(TETRAHYDROXY)CALIX[4]ARENE;AKOS 43;4-TERT-BUTYLCALIX[4]ARENE;4-T-BUTYLCALIX[4]ARENE;ETHYL 2-([5,11,17,23-TETRA(TERT-BUTYL)-26,27,28-TRIS(2-ETHOXY-2-OXYETHOXY)PENTACYCLO[19.3.1.1(3,7).1(9,13).1(15,19)]OCTACOSA-1(2
• IUPAC Name: 5,11,17,23-tetratert-butylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
• Molecular Weight: 648.91
• Molecular Formula: C44H56O4
• Canonical SMILES: CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)(C)C)C2)O)C(C)(C)C)C(C)(C)C)O
• 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
• InChI Key: NVKLTRSBZLYZHK-UHFFFAOYSA-N
• Melting Point: ≥300 °C (lit.)
• Application: Starting material for further derivatization, including halogenation, acylation, and diazo coupling.
• Assay: 95%
• Complexity: 840
• Covalently-Bonded Unit Count: 1
• Exact Mass: 648.41786g/mol
• Features And Benefits: 1. High quality products; 2. Fast delivery; 3. Additional products can be ordered, please contact us for details
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 4
• Heavy Atom Count: 48
• MDL Number: MFCD00066280
• Monoisotopic Mass: 648.41786g/mol
• NACRES: NA.23
• NSC Number: 344251
• Packaging: Packaging; 5, 25 g in glass bottle
• PubChem ID: 24861509
• Quality Level: 100
• Rotatable Bond Count: 4
• XLogP3: 13

Custom Q&A

What is the molecular formula of 4-tert-Butylcalix[4]arene?

The molecular formula of 4-tert-Butylcalix[4]arene is C44H56O4.

What is the molecular weight of 4-tert-Butylcalix[4]arene?

The molecular weight of 4-tert-Butylcalix[4]arene is 648.9 g/mol.

What is the IUPAC name of 4-tert-Butylcalix[4]arene?

The IUPAC name of 4-tert-Butylcalix[4]arene is 5,11,17,23-tetratert-butylpentacyclo[19.3.1.1 3,7 .1 9,13 .1 15,19 ]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol.

What is the InChI of 4-tert-Butylcalix[4]arene?

The InChI of 4-tert-Butylcalix[4]arene is 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.

What is the InChIKey of 4-tert-Butylcalix[4]arene?

The InChIKey of 4-tert-Butylcalix[4]arene is NVKLTRSBZLYZHK-UHFFFAOYSA-N.

What is the canonical SMILES of 4-tert-Butylcalix[4]arene?

The canonical SMILES of 4-tert-Butylcalix[4]arene is CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)(C)C)C2)O)C(C)(C)C)C(C)(C)C)O.

What is the CAS number of 4-tert-Butylcalix[4]arene?

The CAS number of 4-tert-Butylcalix[4]arene is 60705-62-6.

What is the XLogP3-AA value of 4-tert-Butylcalix[4]arene?

The XLogP3-AA value of 4-tert-Butylcalix[4]arene is 13.

How many hydrogen bond donor counts does 4-tert-Butylcalix[4]arene have?

4-tert-Butylcalix[4]arene has 4 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 4-tert-Butylcalix[4]arene have?

4-tert-Butylcalix[4]arene has 4 hydrogen bond acceptor counts.