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16-Methylheptadecyl(Z)-docos-13-enoate

Name: 16-Methylheptadecyl(Z)-docos-13-enoate
SKU: ACM97259853-1
Rating: 5 (1 reviews)

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Catalog NumberACM97259853-1

CAS Number97259-85-3

CategoryFatty-acid Products

Synonyms

EINECS 306-449-1, 16-Methylheptadecyl (Z)-docos-13-enoate, 97259-85-3

IUPAC Name

16-methylheptadecyl (Z)-docos-13-enoate

Molecular Weight

591.04612

Molecular Formula

C₄₀H₇₈O₂

InChI Key

BDYMKXOJTJMBDU-QXMHVHEDSA-N

Boiling Point

625ºC at 760mmHg

Flash Point

29.6ºC

Purity

96%

Density

0.861g/cm³

Exact Mass

590.60000

Download COA Download MSDS

Custom Q&A

What is the molecular formula of 16-Methylheptadecyl(Z)-docos-13-enoate?

The molecular formula is C40H78O2.

When was the compound created in PubChem?

It was created on December 5, 2007.

What is the molecular weight of 16-Methylheptadecyl(Z)-docos-13-enoate?

The molecular weight is 591.0 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 16-methylheptadecyl (Z)-docos-13-enoate.

What is the Canonical SMILES of the compound?

The Canonical SMILES is CCCCCCCCC=CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C.

What is the XLogP3-AA value of 16-Methylheptadecyl(Z)-docos-13-enoate?

The XLogP3-AA value is 18.3.

How many hydrogen bond donor counts does the compound have?

It has 0 hydrogen bond donor counts.

What is the topological polar surface area of 16-Methylheptadecyl(Z)-docos-13-enoate?

The topological polar surface area is 26.3 Å².

How many rotatable bond counts does the compound have?

It has 36 rotatable bond counts.

Is the compound considered canonicalized?

Yes, the compound is canonicalized.

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