Structure Database (LMSD)

Common Name
3-Acetoxy-eicosanoic acid
Systematic Name
3-Acetoxy-eicosanoic acid
Synonyms
  • 3-Acetoxy-icosanoic acid
LM ID
LMFA01050546
Formula
Exact Mass
Calculate m/z
370.30831
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
SELBZODRWLCDNA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19-22(24)25)26-20(2)23/h21H,3-19H2,1-2H3,(H,24,25)
SMILES (Click to copy)
C(CC(OC(=O)C)CCCCCCCCCCCCCCCCC)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 419.04
Topological Polar Surface Area 63.6
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 6.94
Molar Refractivity 107.86

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Created at
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Updated at
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