What is the molecular formula of 2,5-Bis(octyloxy)terephthalaldehyde?

The molecular formula is C24H38O4.

When was 2,5-Bis(octyloxy)terephthalaldehyde first created in the database?

It was first created on September 12, 2005.

What is the computed IUPAC name of 2,5-Bis(octyloxy)terephthalaldehyde?

The computed IUPAC name is 2,5-dioctoxyterephthalaldehyde.

What is the InChIKey of 2,5-Bis(octyloxy)terephthalaldehyde?

The InChIKey is HBPJKNOOUOGSOG-UHFFFAOYSA-N.

What is the canonical SMILES representation of 2,5-Bis(octyloxy)terephthalaldehyde?

The canonical SMILES is CCCCCCCCOC1=CC(=C(C=C1C=O)OCCCCCCCC)C=O.

What is the molecular weight of 2,5-Bis(octyloxy)terephthalaldehyde?

The molecular weight is 390.6 g/mol.

How many hydrogen bond acceptor counts does 2,5-Bis(octyloxy)terephthalaldehyde have?

It has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of 2,5-Bis(octyloxy)terephthalaldehyde?

The topological polar surface area is 52.6Å².

Is 2,5-Bis(octyloxy)terephthalaldehyde a canonicalized compound?

Yes, it is a canonicalized compound.

How many rotatable bond counts does 2,5-Bis(octyloxy)terephthalaldehyde have?

It has 18 rotatable bond counts.

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2 5-Bis(octyloxy)terephthalaldehyde98

Name: 2 5-Bis(octyloxy)terephthalaldehyde98
SKU: ACM123440346-6
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Catalog NumberACM123440346-6

CAS Number123440-34-6

CategorySynthetic Tools and Reagents

Synonyms

2 5-BIS(OCTYLOXY)TEREPHTHALALDEHYDE98;2,5-BIS(OCTYLOXY)TEREPHTHALADEHYDE, 98%;2,5-Bis(octyloxy)terephthalaldehyde 98%

IUPAC Name

2,5-dioctoxyterephthalaldehyde

Molecular Weight

390.55612

Molecular Formula

C₂₄H₃₈O₄

Canonical SMILES

CCCCCCCCOC1=CC(=C(C=C1C=O)OCCCCCCCC)C=O

InChI Key

HBPJKNOOUOGSOG-UHFFFAOYSA-N

Melting Point

76-79ºC(lit.)

Purity

96%

Exact Mass

390.27700

Hazard Statements

Xi: Irritant;

Safety Description

26-36

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