Structure Database (LMSD)
Common Name
3,3-dimethyl-glutaric acid
Systematic Name
3,3-dimethyl-pentanedioic acid
Synonyms
3D model of 3,3-dimethyl-glutaric 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)
DUHQIGLHYXLKAE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
SMILES (Click to copy)
C(=O)(O)CC(C)(C)CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
159.54
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
0.96
Molar Refractivity
38.29
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Created at
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Updated at
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