9-Octadecanoic acid, methyl ester

Compound Structure:

Synonyms:

Methyl 9-octadecenoate;67762-38-3;methyl-9-octadecenoate;EINECS 219-559-9;Methyl (E)-9-Octadecenoate;9-octadecenoic acid methyl ester; SY052944;FT-0628768;FT-0673258;FT-0777893

Compound ID:

NMPC-528

PubChem ID:

8202

Molecular Formula:

C19H36O2

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC

InChIKey:

QYDYPVFESGNLHU-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical 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	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Liquid; NKRA

Source: PubChem

Source Species:

Phaseolus vulgaris
Spondias mombin
Terminalia superba
Moringa oleifera
Erythrina senegalensis

Download SDF