p-Isoropylcalix-4-arene

CAS

97998-55-5

Catalog Number

ACM97998555

Category

Other Products

Molecular Weight

592.81

Molecular Formula

C₄₀H₄₈O₄

MSDS COA Spec Sheet

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Specification

Synonyms

4-iso-propyl-calix[4]arene; p-Isopropylcalix<4>arene; 5,11,17,23-tetraisopropylpentacyclo[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;

IUPAC Name

25,26,27,28-tetrahydroxy-5,11,17,23-tetrakis(1-methylethyl)calixarene

Canonical SMILES

CC(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)C)C2)O)C(C)C)C(C)C)O

InChI Key

UHLRPXXFPYMCAE-UHFFFAOYSA-N

Boiling Point

673.4ºC at 760mmHg

Melting Point

≥290ºC

Flash Point

261.3ºC

Density

1.126g/cm³

Exact Mass

592.35500

Safety Description

S22-S24/25

What is the molecular formula of p-Isopropylcalix-4-arene?

The molecular formula is C40H48O4.

When was p-Isopropylcalix-4-arene first created and last modified?

It was first created on 2005-03-26 and last modified on 2023-12-30.

What is the IUPAC name of p-Isopropylcalix-4-arene?

The IUPAC name is 5,11,17,23-tetra(propan-2-yl)pentacyclo[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.

What is the InChIKey of p-Isopropylcalix-4-arene?

The InChIKey is UHLRPXXFPYMCAE-UHFFFAOYSA-N.

How many hydrogen bond donor counts does p-Isopropylcalix-4-arene have?

It has 4 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does p-Isopropylcalix-4-arene have?

It has 4 hydrogen bond acceptor counts.

What is the XLogP3-AA value of p-Isopropylcalix-4-arene?

The XLogP3-AA value is 10.8.

What is the exact mass of p-Isopropylcalix-4-arene?

The exact mass is 592.35526001 g/mol.

How many rotatable bond counts does p-Isopropylcalix-4-arene have?

It has 4 rotatable bond counts.