Structure Database (LMSD)

O
Common Name
6Z,9E-Heneicosadien-11-one
Systematic Name
6Z,9E-Heneicosadien-11-one
Synonyms
LM ID
LMFA12000217
Formula
C21H38O
Exact Mass
Calculate m/z
306.292265
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)
ZNAIFUOOHZIIGO-XJQVUQAESA-N
InChi (Click to copy)
InChI=1S/C21H38O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13,17,19H,3-10,12,14-16,18,20H2,1-2H3/b13-11-,19-17+
SMILES (Click to copy)
CCCCC/C=C\C/C=C/C(=O)CCCCCCCCCC

References

Other Databases

PubChem CID
15340907

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 372.73
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 7.17
Molar Refractivity 99.27

Admin

Created at
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Updated at
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