Structure Database (LMSD)

Common Name
6Z-Heneicosen-11-one
Systematic Name
6Z-Heneicosen-11-one
Synonyms
LM ID
LMFA12000214
Formula
C21H40O
Exact Mass
Calculate m/z
308.307915
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
YLNMHCDVFVPONQ-QBFSEMIESA-N
InChi (Click to copy)
InChI=1S/C21H40O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13H,3-10,12,14-20H2,1-2H3/b13-11-
SMILES (Click to copy)
CCCCC/C=C\CCCC(=O)CCCCCCCCCC

References

Other Databases

PubChem CID
5364717

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 375.37
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 7.39
Molar Refractivity 99.37

Admin

Created at
-
Updated at
-