Structure Database (LMSD)

Common Name
9-Octadecene
Systematic Name
9-Octadecene
Synonyms
LM ID
LMFA11000563
Formula
C18H36
Exact Mass
Calculate m/z
252.2817
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
HSNQNPCNYIJJHT-ISLYRVAYSA-N
InChi (Click to copy)
InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3/b18-17+
SMILES (Click to copy)
CCCCCCCC/C=C/CCCCCCCC

Other Databases

CHEBI ID
37607
PubChem CID
5364599

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 317.32
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 7.04
Molar Refractivity 85.13

Admin

Created at
-
Updated at
-