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
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
Main
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
References
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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