4-[2-Hydroxy-3-(isononyloxy)propoxy]benzaldehyde[[4-[2-hydroxy-3-(isononyloxy)propoxy]phenyl]methylene]hydrazone

CAS

93843-31-3

Catalog Number

ACM93843313

Category

Other Products

Molecular Weight

640.892800 [g/mol]

Molecular Formula

C₃₈H₆₀N₂O₆

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Specification

Synonyms

EINECS 299-111-7, 4-(2-Hydroxy-3-(isononyloxy)propoxy)benzaldehyde ((4-(2-hydroxy-3-(isononyloxy)propoxy)phenyl)methylene)hydrazone, 93843-31-3

IUPAC Name

1-[4-[(E)-[(E)-[4-[2-hydroxy-3-(7-methyloctoxy)propoxy]phenyl]methylidenehydrazinylidene]methyl]phenoxy]-3-(7-methyloctoxy)propan-2-ol

Canonical SMILES

CC(C)CCCCCCOCC(COC1=CC=C(C=C1)C=NN=CC2=CC=C(C=C2)OCC(COCCCCCCC(C)C)O)O

InChI Key

QXKUMQBKIFBLMH-YXTVXKGXSA-N

EC Number

299-111-7

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound described in the reference?

The molecular formula is C38H60N2O6.

What are the synonyms for the compound?

Some synonyms include EINECS 299-111-7 and 4-[2-Hydroxy-3-(isononyloxy)propoxy]benzaldehyde[[4-[2-hydroxy-3-(isononyloxy)propoxy]phenyl]methylene]hydrazone.

When was the compound created and last modified?

The compound was created on August 20, 2009, and last modified on December 30, 2023.

What is the molecular weight of the compound?

The molecular weight is 640.9 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-[4-[(E)-[(E)-[4-[2-hydroxy-3-(7-methyloctoxy)propoxy]phenyl]methylidenehydrazinylidene]methyl]phenoxy]-3-(7-methyloctoxy)propan-2-ol.

What is the InChIKey for the compound?

The InChIKey is QXKUMQBKIFBLMH-YXTVXKGXSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 102?2.

How many defined atom stereocenter counts does the compound have?

The compound has 0 defined atom stereocenter counts.

How many rotatable bond counts does the compound have?

The compound has 27 rotatable bond counts.

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