(10E,12Z)-methyl octadeca-10,12-dienoate

(10E,12Z)-methyl octadeca-10,12-dienoate
Compound Structure:
Synonyms: (10E,12Z)-Methyl Ester 10,12-Octadecadienoate;octadec-10,12-dienoic methyl ester;NCI60_038124;PD077331
Compound ID: NMPC-019
PubChem ID:

398055
Molecular Formula: C19H34O2
Canonical SMILES: CCCCCC=CC=CCCCCCCCCC(=O)OC
InChIKey: KMXSXYSNZMSDFK-UHFFFAOYSA-N
About the compound:

This molecule consist of an 18-carbon chain fatty acid with double bonds between carbons 10 and 11 (E configuration) and between carbons 12 and 13 (Z configuration). The terminal carboxylic acid group (-COOH) of this fatty acid is esterified with methanol, converting it into a methyl ester (-COOCH3).The primary use of fatty acid methyl esters, including (10E,12Z)-Methyl Ester 10,12-Octadecadienoate, would be as components of biodiesel. Biodiesel is produced by reacting triglycerides (from vegetable oils or animal fats) with methanol in the presence of a catalyst, yielding fatty acid methyl esters and glycerol.
Properties:

Chemical and Physical Properties

 

Property Name

Property Value

Molecular Weight

294.5 g/mol

XLogP3-AA

7.2

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

26.3Ų

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

0

Undefined Bond Stereocenter Count

2

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Vernonia blumeoides
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