Structure Database (LMSD)
Common Name
3,3-dimethyl-nonanoic acid
Systematic Name
3,3-dimethyl-nonanoic acid
Synonyms
3D model of 3,3-dimethyl-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)
YTISNWDNLZEHQA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O2/c1-4-5-6-7-8-11(2,3)9-10(12)13/h4-9H2,1-3H3,(H,12,13)
SMILES (Click to copy)
C(CCCCC(C)(C)CC(=O)O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
213.80
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
3.46
Molar Refractivity
54.79
Admin
Created at
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Updated at
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