methyl-11-octadecenoate (11-Octadecanoic acid methyl ester)

Compound Structure:

Synonyms:

Methyl (E)-octadec-11-enoate; Methyl vaccenate; trans-11-Octadecenoic acid methyl ester; Methyl trans-11-octadecenoate; Methyl trans-vaccenate; METHYL 11-OCTADECENOATE; 11-Octadecenoic acid, methyl ester

Compound ID:

NMPC-1261

PubChem ID:

5364432

Molecular Formula:

C19H36O2

Canonical SMILES:

CCCCCCC=CCCCCCCCCCC(=O)OC

InChIKey:

PVVODBCDJBGMJL-CMDGGOBGSA-N

About the compound:

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	296.5 g/mol
XLogP3-AA	7.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	296.271530387 g/mol
Monoisotopic Mass	296.271530387 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	246
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Citrullus lanatus,
Mucuna sloanei
Piliostigma thonningii.
Irvingia gabonensis.
Napoleonaea imperialis

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