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Structure

(R)-2,2-Binaphthyl-17-crown-5

CAS
99630-51-0
Catalog Number
ACM99630510
Category
Other Products
Molecular Weight
500.625240 [g/mol]
Molecular Formula
C32H36O5

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Specification

Synonyms
99630-51-0
IUPAC Name
(14R)-14-(2-naphthalen-2-ylnaphthalen-1-yl)-1,4,7,10,13-pentaoxacycloheptadecane
Canonical SMILES
C1CC(OCCOCCOCCOCCOC1)C2=C(C=CC3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4
InChI Key
DPTPNYOJNANDLI-WJOKGBTCSA-N
Exact Mass
444.19400
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of (R)-2,2-Binaphthyl-17-crown-5?

The molecular formula is C32H36O5.

What is the computed molecular weight of (R)-2,2-Binaphthyl-17-crown-5?

The computed molecular weight is 500.6 g/mol.

What is the IUPAC name of (R)-2,2-Binaphthyl-17-crown-5?

The IUPAC name is (14R)-14-(2-naphthalen-2-ylnaphthalen-1-yl)-1,4,7,10,13-pentaoxacycloheptadecane.

What is the InChI of (R)-2,2-Binaphthyl-17-crown-5?

The InChI is InChI=1S/C32H36O5/c1-2-8-27-24-28(12-11-25(27)6-1)30-14-13-26-7-3-4-9-29(26)32(30)31-10-5-15-33-16-17-34-18-19-35-20-21-36-22-23-37-31/h1-4,6-9,11-14,24,31H,5,10,15-23H2/t31-/m1/s1.

What is the InChIKey of (R)-2,2-Binaphthyl-17-crown-5?

The InChIKey is DPTPNYOJNANDLI-WJOKGBTCSA-N.

What is the canonical SMILES of (R)-2,2-Binaphthyl-17-crown-5?

The canonical SMILES is C1CC(OCCOCCOCCOCCOC1)C2=C(C=CC3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4.

What is the isomeric SMILES of (R)-2,2-Binaphthyl-17-crown-5?

The isomeric SMILES is C1C[C@@H](OCCOCCOCCOCCOC1)C2=C(C=CC3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4.

What is the XLogP3-AA value of (R)-2,2-Binaphthyl-17-crown-5?

The XLogP3-AA value is 5.6.

How many hydrogen bond donor counts does (R)-2,2-Binaphthyl-17-crown-5 have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does (R)-2,2-Binaphthyl-17-crown-5 have?

It has 5 hydrogen bond acceptor counts.

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