Structure Database (LMSD)

Common Name
22:2(3Z,16Z)
Systematic Name
3Z,16Z-docosadienoic acid
Synonyms
  • C22:2n-6,19
LM ID
LMFA04000065
Status
Active
Exact Mass
Calculate m/z
336.30283
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
QEALGBVVNMNXEC-JFECHNKFSA-N
InChi (Click to copy)
InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,19-20H,2-5,8-18,21H2,1H3,(H,23,24)/b7-6-,20-19-
SMILES (Click to copy)
C(C/C=C\CCCCCCCCCCC/C=C\CCCCC)(=O)O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 398.82
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.44
Molar Refractivity 105.46

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Created at
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Updated at
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