Structure Database (LMSD)

Common Name
11-Hexadecynal
Systematic Name
11-Hexadecynal
Synonyms
LM ID
LMFA06000227
Formula
C16H28O
Exact Mass
Calculate m/z
236.214015
Sum Composition
FAL 16:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Desmia funeralis (#219529)
Insecta (#50557)
Unusual acetylenic sex pheromone of grape leaffolder (Lepidoptera: Pyralidae).,
J Econ Entomol, 2002
Pubmed ID: 12216808

String Representations

InChiKey (Click to copy)
CJULORNYMKTGAE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-4,7-15H2,1H3
SMILES (Click to copy)
C(CCCCCCCCCC#CCCCC)(=O)[H]

Other Databases

CHEBI ID
196156
PubChem CID
557017

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 286.23
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.89
Molar Refractivity 74.92

Admin

Created at
-
Updated at
4th Apr 2022