Structure Database (LMSD)
Common Name
6,6-dimethoxy-octanoic acid
Systematic Name
6,6-dimethoxy-octanoic acid
Synonyms
- Octanoic acid, 6,6-dimethoxy-
LM ID
LMFA01080018
Formula
Exact Mass
Calculate m/z
204.13616
Sum Composition
Status
Active
3D model of 6,6-dimethoxy-octanoic 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)
WZGDVNUKZWUYBJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O4/c1-4-10(13-2,14-3)8-6-5-7-9(11)12/h4-8H2,1-3H3,(H,11,12)
SMILES (Click to copy)
C(CCCCC(OC)(OC)CC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
214.08
Topological Polar Surface Area
55.76
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
2.32
Molar Refractivity
53.66
Admin
Created at
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Updated at
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