Structure Database (LMSD)

Common Name
7E,9E-Heneicosadien-6,11-one
Systematic Name
7E,9E-Heneicosadien-6,11-one
Synonyms
LM ID
LMFA12000212
Formula
C21H36O2
Exact Mass
Calculate m/z
320.27153
Status
Active
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)
KNBTZQJOALZUDH-JSAVKQRWSA-N
InChi (Click to copy)
InChI=1S/C21H36O2/c1-3-5-7-8-9-10-11-13-17-21(23)19-15-14-18-20(22)16-12-6-4-2/h14-15,18-19H,3-13,16-17H2,1-2H3/b18-14+,19-15+
SMILES (Click to copy)
CCCCCC(=O)/C=C/C=C/C(=O)CCCCCCCCCC

Other Databases

PubChem CID
56936226

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 378.88
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.35
Molar Refractivity 99.66

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Created at
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Updated at
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