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
3D model of 3-Acetoxy-eicosanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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
Other Databases
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
Admin
Created at
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Updated at
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