Structure Database (LMSD)

Common Name
13E-Octadecenal
Systematic Name
13E-Octadecenal
Synonyms
LM ID
LMFA06000230
Formula
C18H34O
Exact Mass
Calculate m/z
266.260966
Sum Composition
FAL 18:1
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
Duponchelia fovealis (#1970904)
Insecta (#50557)
Identification of the Female-Produced Sex Pheromone of an Invasive Greenhouse Pest, the European Pepper Moth (Duponchelia fovealis).,
J Chem Ecol, 2018
Pubmed ID: 29376213

String Representations

InChiKey (Click to copy)
QIRGIHPYVVKWTO-AATRIKPKSA-N
InChi (Click to copy)
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,18H,2-4,7-17H2,1H3/b6-5+
SMILES (Click to copy)
C(CCCCCCCCCCC/C=C/CCCC)(=O)[H]

Other Databases

PubChem CID
5367670

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 323.47
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.22
Molar Refractivity 85.52

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Created at
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Updated at
6th Jan 2025