Eicosanoic acid ethyl ester

Eicosanoic acid ethyl ester
Compound Structure:
Synonyms: ethyl icosanoate; Ethyl arachidate; Arachidic acid ethyl ester; Eicosanoic acid, ethyl ester; ETHYL EICOSANOATE; Ethyl Arachate; Ethylicosanoate; Icosanoic Acid Ethyl Ester; chloro-diphenyl-vinyl-silane
Compound ID: NMPC-998
PubChem ID:

29009
Molecular Formula: C22H44O2
Canonical SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OCC
InChIKey: YBKSMWBLSBAFBQ-UHFFFAOYSA-N
About the compound:

Ethyl arachidate is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of arachidic (icosanoic) acid with the hydroxy group of ethanol. It is functionally related to an icosanoic acid.
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

340.6 g/mol

XLogP3-AA

10

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

20

Exact Mass

340.334130642 g/mol

Monoisotopic Mass

340.334130642 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

24

Formal Charge

0

Complexity

250

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem            
Source Species: Vernonia cinerea
Piliostigma thonningii.
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