Structure Database (LMSD)

Common Name
10Z,12Z-Hexadecadienal
Systematic Name
10Z,12Z-Hexadecadienal
Synonyms
LM ID
LMFA06000222
Formula
C16H28O
Exact Mass
Calculate m/z
236.214015
Sum Composition
FAL 16:2
Status
Curated
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
Diaphania hyalinata (#1209549)
Insecta (#50557)
Female sex pheromone of the melonworm,Diaphania hyalinata (Lepidoptera: Pyralidae), and analysis of male responses to pheromone in a flight tunnel.,
J Chem Ecol, 1986
Pubmed ID: 24306412

String Representations

InChiKey (Click to copy)
OSFASEAZCNYZBW-RZSVFLSASA-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/h4-7,16H,2-3,8-15H2,1H3/b5-4-,7-6-
SMILES (Click to copy)
C(CCCCCCCC/C=C\C=C/CCC)(=O)[H]

Other Databases

CHEBI ID
196159
PubChem CID
5365660

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 286.23
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.22
Molar Refractivity 76.19

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Created at
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Updated at
23rd Jan 2025