Structure Database (LMSD)

Common Name
delta-hexadecalactone
Systematic Name
5-Hexadecanolide
Synonyms
LM ID
LMFA07040055
Formula
C16H30O2
Exact Mass
Calculate m/z
254.22458
Sum Composition
FA 16:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Vespa orientalis (#7447)
Insecta (#50557)
The pheromone of the queen of the Oriental hornet, Vespa orientalis,
J Insect Physiol, 1969

String Representations

InChiKey (Click to copy)
ZMJKQSSFLIFELJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(17)18-15/h15H,2-14H2,1H3
SMILES (Click to copy)
C1CC(=O)OC(CCCCCCCCCCC)C1

Other Databases

CHEBI ID
179820
PubChem CID
110976

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 287.94
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.29
Molar Refractivity 76.09

Admin

Created at
-
Updated at
28th Jun 2021