Structure Database (LMSD)
Common Name
3,5,5-trimethyl-hexanoic acid
Systematic Name
3,5,5-trimethyl-hexanoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3,5,5-trimethyl-hexanoic 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)
OILUAKBAMVLXGF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)
SMILES (Click to copy)
C(C)(C)(C)CC(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
179.20
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.53
Molar Refractivity
45.49
Admin
Created at
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Updated at
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