2-pentadecanone

Compound Structure:

Synonyms:

2-PENTADECANONE;Pentadecan-2-one;2345-28-0;Methyl tridecyl ketone;Pentadecanone;2-Pentandecanone

Compound ID:

NMPC-279

PubChem ID:

61303

Molecular Formula:

C15H30O

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C

InChIKey:

CJPNOLIZCWDHJK-UHFFFAOYSA-N

About the compound:

2-Pentadecanone is a ketone, which is an organic compound characterized by a carbonyl group (C=O) bonded to two carbon atoms (R2C=O). In the case of 2-pentadecanone, the carbonyl group is attached to a pentadecane structure. This compound is found naturally in various organisms, including Lonicera japonica and Hedychium spicatum. Ketones that have one or more alpha-hydrogen atoms can undergo keto-enol tautomerization, where the tautomeric form is an enol, which is an alcohol with a C=C double bond adjacent to the hydroxyl group.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	226.40 g/mol
XLogP3	6.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	12
Exact Mass	226.229665576 g/mol
Monoisotopic Mass	226.229665576 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	152
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
Physical Description	white to waxy mass or crystalline leaves
Boiling Point	293.00 to 294.00 °C. @ 760.00 mm Hg
Meting Point	39 °C
Solubility	soluble in alcohol, propylene glycol and oils; insoluble in water

Source: PubChem

Source Species:

Garcinia kola
Tecoma stans

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