Structure Database (LMSD)
Common Name
8,10-dimethoxy-octadecanoic acid
Systematic Name
8,10-dimethoxy-octadecanoic acid
Synonyms
- Octadecanoic acid, 8,10-dimethoxy-
LM ID
LMFA01080017
Formula
Exact Mass
Calculate m/z
344.29266
Sum Composition
Status
Active
3D model of 8,10-dimethoxy-octadecanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
RGPGJWBMNOHCDK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H40O4/c1-4-5-6-7-8-11-14-18(23-2)17-19(24-3)15-12-9-10-13-16-20(21)22/h18-19H,4-17H2,1-3H3,(H,21,22)
SMILES (Click to copy)
C(CCCCCCC(OC)CC(OC)CCCCCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
387.08
Topological Polar Surface Area
55.76
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
6.16
Molar Refractivity
100.57
Admin
Created at
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Updated at
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