Methyl 9 cis, 11 transoctadecadienoate

Compound Structure:

Synonyms:

(9Z,11E)-Octadeca-9,11-dienoate; 9-cis,11-trans-Octadecadienoate; (9Z,11E)-Octadecadienoate.

Compound ID:

NMPC-1245

PubChem ID:

5460120

Molecular Formula:

C18H31O2-

Canonical SMILES:

CCCCCCC=CC=CCCCCCCCC(=O)[O-]

InChIKey:

JBYXPOFIGCOSSB-GOJKSUSPSA-M

About the compound:

9-cis,11-trans-octadecadienoate is an octadeca-9,11-dienoate that is the conjugate base of 9-cis,11-trans-octadecadienoic acid, formed by deprotonation of the carboxylic acid functional group. It is a conjugate base of a 9-cis,11-trans-octadecadienoic acid.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	279.4 g/mol
XLogP3-AA	7.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	13
Exact Mass	279.232405227 g/mol
Monoisotopic Mass	279.232405227 g/mol
Topological Polar Surface Area	40.1Å²
Heavy Atom Count	20
Formal Charge	-1
Complexity	261
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:

Nicotiana tabacum
Terminalia schimperiana
Terminalia superba

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