Structure Database (LMSD)
Common Name
9,9-dimethoxy-nonanoic acid
Systematic Name
9,9-dimethoxy-nonanoic acid
Synonyms
- Nonanoic acid, 9,9-dimethoxy-
LM ID
LMFA01080019
Formula
Exact Mass
Calculate m/z
218.15181
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 9,9-dimethoxy-nonanoic 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)
XDIISQHQFQMEIB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O4/c1-14-11(15-2)9-7-5-3-4-6-8-10(12)13/h11H,3-9H2,1-2H3,(H,12,13)
SMILES (Click to copy)
C(CCCCCCCC(OC)OC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
231.38
Topological Polar Surface Area
55.76
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
2.71
Molar Refractivity
58.27
Admin
Created at
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Updated at
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