4-tert-Butylcalix(8)arene-octaacetic acid octaethyl ester

CAS

92003-63-9

Catalog Number

ACM92003639

Category

Other Products

Molecular Weight

1986.54

Molecular Formula

C₁₂₀H₁₆₀O₂₄

MSDS COA Spec Sheet

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Specification

Synonyms

4-TERT-BUTYLCALIX(8)ARENE-OCTAACETIC ACID OCTAETHYL ESTER;5,11,17,23,29,35,41,47-P-TERT-BUTYL-49,50,51,52,53,54,55,56-OCTAKIS[(ETHOXYCARBONYL)-METHOXY]-CALIX[8]ARENE;4-tert-Butylcalix[8]arene octaacetic acid octaethyl ester,95%

IUPAC Name

4-TERT-BUTYLCALIX(8)ARENE-OCTAACETIC ACID OCTAETHYL ESTER

Exact Mass

1985.13000

Hazard Statements

Xi: Irritant;

Physical Description

4-tert-Butylcalix[8]arene octaacetic acidoctaethyl ester (250mg)

Safety Description

37/39-26

What is the molecular formula of 4-tert-Butylcalix(8)arene-octaacetic acid octaethyl ester?

The molecular formula is C120H160O24.

When was PubChem CID 16162762 created?

PubChem CID 16162762 was created on 2007-07-04.

What is the IUPAC name of 4-tert-Butylcalix(8)arene-octaacetic acid octaethyl ester?

The IUPAC name is ethyl 2-[[5,11,17,23,29,35,41,47-octatert-butyl-50,51,52,53,54,55,56-heptakis(2-ethoxy-2-oxoethoxy)-49-nonacyclo[43.3.1.1 3,7 .1 9,13 .1 15,19 .1 21,25 .1 27,31 .1 33,37 .1 39,43 ]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaenyl]oxy]acetate.

What is the canonical SMILES representation of 4-tert-Butylcalix(8)arene-octaacetic acid octaethyl ester?

The canonical SMILES representation is CCOC(=O)COC1=C2CC3=CC(=CC(=C3OCC(=O)OCC)CC4=CC(=CC(=C4OCC(=O)OCC)CC5=CC(=CC(=C5OCC(=O)OCC)CC6=C(C(=CC(=C6)C(C)(C)C)CC7=C(C(=CC(=C7)C(C)(C)C)CC8=C(C(=CC(=C8)C(C)(C)C)CC9=C(C(=CC(=C9)C(C)(C)C)CC1=CC(=C2)C(C)(C)C)OCC(=O)OCC)OCC(=O)OCC)OCC(=O)OCC)OCC(=O)OCC)C(C)(C)C)C(C)(C)C.

What is the XLogP3-AA value for 4-tert-Butylcalix(8)arene-octaacetic acid octaethyl ester?

The XLogP3-AA value is 30.8.

How many hydrogen bond acceptors does 4-tert-Butylcalix(8)arene-octaacetic acid octaethyl ester have?

It has 24 hydrogen bond acceptors.

What is the exact mass of 4-tert-Butylcalix(8)arene-octaacetic acid octaethyl ester?

The exact mass is 1986.13331080 g/mol.

What is the topological polar surface area of 4-tert-Butylcalix(8)arene-octaacetic acid octaethyl ester?

The topological polar surface area is 284?2.

How many heavy atoms does 4-tert-Butylcalix(8)arene-octaacetic acid octaethyl ester contain?

It contains 144 heavy atoms.

What is the complexity value of 4-tert-Butylcalix(8)arene-octaacetic acid octaethyl ester?

The complexity value is 3090.