Structure Database (LMSD)

Common Name
1-Octadecene
Systematic Name
1-Octadecene
Synonyms
LM ID
LMFA11000325
Formula
C18H36
Exact Mass
Calculate m/z
252.2817
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
CCCMONHAUSKTEQ-UHFFFAOYSA-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/h3H,1,4-18H2,2H3
SMILES (Click to copy)
C=CCCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
30824
PubChem CID
8217

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
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

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Created at
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Updated at
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