Structure Database (LMSD)

Common Name
6Z-Heneicosen-9-one
Systematic Name
6Z-Heneicosen-9-one
Synonyms
LM ID
LMFA12000215
Formula
C21H40O
Exact Mass
Calculate m/z
308.307916
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
GWCLAVYIUMAKQA-ICFOKQHNSA-N
InChi (Click to copy)
InChI=1S/C21H40O/c1-3-5-7-9-11-12-13-14-16-18-20-21(22)19-17-15-10-8-6-4-2/h15,17H,3-14,16,18-20H2,1-2H3/b17-15-
SMILES (Click to copy)
CCCCC/C=C\CC(=O)CCCCCCCCCCCC

Other Databases

PubChem CID
56936228

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
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Updated at
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