9,12-Octadecadienoic acid ethyl ester

Compound Structure:

Synonyms:

6114-21-2;9,12-Octadecadienoic acid, ethyl ester;ethyl (9E,12E)-octadeca-9,12-dienoate;DTXSID8046820;NCGC00181039-01;DELTA 9-TRANS 12-TRANS OCTADECADIENOIC ACID ETHYL ESTER

Compound ID:

NMPC-518

PubChem ID:

5365672

Molecular Formula:

C20H36O2

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OCC

InChIKey:

FMMOOAYVCKXGMF-MVKOLZDDSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	308.5 g/mol
XLogP3-AA	7.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	308.271530387 g/mol
Monoisotopic Mass	308.271530387 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	292
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

Source: PubChem

Source Species:

Vernonia amygdalina
Eremomastax speciosa

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