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
No other lipid differing only in stereochemistry/bond geometry found
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
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
Other Databases
PubChem CID
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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