Structure Database (LMSD)

Common Name
2E-Octadecenal
Systematic Name
2E-Octadecenal
Synonyms
LM ID
LMFA06000232
Formula
C18H34O
Exact Mass
Calculate m/z
266.260965
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

String Representations

InChiKey (Click to copy)
AHQSSWHOKBCJFA-WUKNDPDISA-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/h16-18H,2-15H2,1H3/b17-16+
SMILES (Click to copy)
C(/C=C/CCCCCCCCCCCCCCC)(=O)[H]

Other Databases

CHEBI ID
165518
PubChem CID
5463317

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
-
Updated at
-