Heptadecanioc acid ethyl ester

Compound Structure:

Synonyms:

Ethyl heptadecanoate; ETHYL MARGARATE; Heptadecanoic acid, ethyl ester; Ethyl n-heptadecanoate; Margaric Acid Ethyl Ester; Ethylheptadecanoate; n-Heptadecanoic acid ethyl ester

Compound ID:

NMPC-1103

PubChem ID:

26397

Molecular Formula:

C19H38O2

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)OCC

InChIKey:

KNXMUFRWYNVISA-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	298.5 g/mol
XLogP3-AA	8.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	17
Exact Mass	298.287180451 g/mol
Monoisotopic Mass	298.287180451 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	214
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Mucuna sloanei

Download SDF