Hexadecenoic acid methyl ester

Compound Structure:

Synonyms:

Methyl hexadec-2-enoate; Hexadecenoic acid methyl ester

Compound ID:

NMPC-1120

PubChem ID:

Molecular Formula:

C17H32O2

Canonical SMILES:

CCCCCCCCCCCCCC=CC(=O)OC

InChIKey:

ODPLFJYILBATKC-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	268.4 g/mol
XLogP3-AA	7.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	14
Exact Mass	268.240230259 g/mol
Monoisotopic Mass	268.240230259 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	221
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

Source: PubChem

Source Species:

Vernonia cinerea

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