Structure Database (LMSD)

Common Name
6E-octadecenal
Systematic Name
6E-octadecenal
Synonyms
LM ID
LMFA06000283
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Actias luna (#63976)
Insecta (#50557)
Sex Attractant Pheromone of the Luna Moth, Actias luna (Linnaeus).,
J Chem Ecol, 2016
Pubmed ID: 27544534

String Representations

InChiKey (Click to copy)
CMVCTUZMEJVSMW-OUKQBFOZSA-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/h12-13,18H,2-11,14-17H2,1H3/b13-12+
SMILES (Click to copy)
C(CCCC/C=C/CCCCCCCCCCC)(=O)[H]

Other Databases

PubChem CID
5365017

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

Admin

Created at
24th May 2021
Updated at
24th May 2021