8,11-Octadecadienoic acid, methyl ester

Compound Structure:

Synonyms:

8,11-Octadecadienoic acid, methyl ester;SCHEMBL2272748;IQTMIKSIMGHIIR-MVKOLZDDSA-N;Methyl (8E,11E)-8,11-octadecadienoate;Methyl (8E,11E)-8,11-octadecadienoate

Compound ID:

NMPC-498

PubChem ID:

5319737

Molecular Formula:

C19H34O2

Canonical SMILES:

CCCCCCC=CCC=CCCCCCCC(=O)OC

InChIKey:

IQTMIKSIMGHIIR-MVKOLZDDSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	294.5 g/mol
XLogP3-AA	6.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Exact Mass	294.255880323 g/mol
Monoisotopic Mass	294.255880323 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	279
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:

Phaseolus vulgaris

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