Methylpentadecanoate

Methylpentadecanoate
Compound Structure:
Synonyms: Methyl pentadecanoate; Pentadecanoic acid, methyl ester; Methyl n-pentadecanoate; n-Pentadecanoic acid methyl ester; Pentadecanoic acid-methyl ester; Pentanedecanoic acid, methyl ester
Compound ID: NMPC-1271
PubChem ID:

23518
Molecular Formula: C16H32O2
Canonical SMILES: CCCCCCCCCCCCCCC(=O)OC
InChIKey: XIUXKAZJZFLLDQ-UHFFFAOYSA-N
About the compound:

Methyl pentadecanoate is a fatty acid ester obtained by condensation of the carboxy group of pentadecanoic acid with the hydroxy group of methanol. It has a role as a plant metabolite and a bacterial metabolite. It is functionally related to a pentadecanoic acid.

GHS Hazard Statements

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

256.42 g/mol

XLogP3

7.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

14

Exact Mass

256.240230259 g/mol

Monoisotopic Mass

256.240230259 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

18

Formal Charge

0

Complexity

178

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: Scleria depressa
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