Structure Database (LMSD)
Common Name
2-ethyl-2-butyl-decanoic acid
Systematic Name
2-ethyl-2-butyl-decanoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2-ethyl-2-butyl-decanoic 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)
ZMLHDQDNVVPPRP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O2/c1-4-7-9-10-11-12-14-16(6-3,15(17)18)13-8-5-2/h4-14H2,1-3H3,(H,17,18)
SMILES (Click to copy)
CCCCCCCCC(CC)(CCCC)C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
300.30
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.41
Molar Refractivity
77.88
Admin
Created at
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Updated at
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