Structure Database (LMSD)
Common Name
Ethyladipic acid
Systematic Name
2-ethyl-hexanedioic acid
Synonyms
3D model of Ethyladipic 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)
FANBESOFXBDQSH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O4/c1-2-6(8(11)12)4-3-5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)
SMILES (Click to copy)
C(=O)(O)C(CC)CCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
176.84
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
1.35
Molar Refractivity
42.90
Admin
Created at
-
Updated at
-