Structure Database (LMSD)
Common Name
4-Ethyloctanoic acid
Systematic Name
4-ethyloctanoic acid
Synonyms
3D model of 4-Ethyloctanoic 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)
PWKJMPFEQOHBAC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
SMILES (Click to copy)
C(=O)(O)CCC(CC)CCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
196.50
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
3.07
Molar Refractivity
50.18
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Created at
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Updated at
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