Structure Database (LMSD)

Common Name
6E-Heneicosen-11-one
Systematic Name
6E-Heneicosen-11-one
Synonyms
LM ID
LMFA12000211
Formula
C21H40O
Exact Mass
Calculate m/z
308.307915
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)
YLNMHCDVFVPONQ-ACCUITESSA-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

Other Databases

PubChem CID
6442403

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

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Created at
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Updated at
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