Heptadecanoic acid, 16-methyl-, methyl ester

Compound Structure:

Synonyms:

Methyl 16-methylheptadecanoate; Methyl isostearate; Methyl 16-methylheptadecanoate; 16-Methylheptadecanoic acid methyl ester; Heptadecanoic acid, 16-methyl-, methyl ester; 16-METHYLHEPTADECANOICACIDMETHYLESTER

Compound ID:

NMPC-1105

PubChem ID:

110444

Molecular Formula:

C19H38O2

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)OC

InChIKey:

KDQIFKKWPMBNOH-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	298.5 g/mol
XLogP3	8.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
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	224
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:

Phaseolus vulgaris
Napoleonaea imperialis

Download SDF