Octadecadienoic acid

Compound Structure:

Synonyms:

(2E,4E)-octadeca-2,4-dienoic acid; octadecadienoic acid; octadecadienoate; 2,4-octadecadienoic acid; Octadecadienoic acid, (E,E)-; (2E,4E)-2,4-Octadecadienoicacid.

Compound ID:

NMPC-1341

PubChem ID:

5312457

Molecular Formula:

C18H32O2

Canonical SMILES:

CCCCCCCCCCCCCC=CC=CC(=O)O

InChIKey:

ADHNUPOJJCKWRT-JLXBFWJWSA-N

About the compound:

Octadecadienoic acid is a natural product found in Galeopsistetrahit, Stachysbalansae, and other organisms. Octadecadienoic Acid is a polyunsaturated long-chain fatty acid with an 18-carbon backbone and exactly 2 double bonds. There are numerous isomers and stereoisomers that can be called by this name.

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	280.4 g/mol
XLogP3-AA	7.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Exact Mass	280.240230259 g/mol
Monoisotopic Mass	280.240230259 g/mol
Topological Polar Surface Area	37.3Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	267
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Liquid

Source: PubChem

Source Species:

Luffa cylindrica

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