Octadecatrienoic acid

Compound Structure:

Synonyms:

(2E,4E,6E)-Octadeca-2,4,6-trienoic acid; Octadecatrienoic acid.

Compound ID:

NMPC-1352

PubChem ID:

6506665

Molecular Formula:

C18H30O2

Canonical SMILES:

CCCCCCCCCCCC=CC=CC=CC(=O)O

InChIKey:

ZUUFLXSNVWQOJW-MBIXAETLSA-N

About the compound:

Octadecatrienoic Acid is a polyunsaturated long-chain fatty acid with an 18-carbon backbone and exactly three double bonds. At least 17 different isomers of this compound are recognized.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	278.4 g/mol
XLogP3-AA	7.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	13
Exact Mass	278.224580195 g/mol
Monoisotopic Mass	278.224580195 g/mol
Topological Polar Surface Area	37.3Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	301
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Heliotropium indicum

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