Structure Database (LMSD)
Common Name
4-methyl-decanoic acid
Systematic Name
4-methyl-decanoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 4-methyl-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)
NODQTVSOELONGZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O2/c1-3-4-5-6-7-10(2)8-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
SMILES (Click to copy)
C(CCC(C)CCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
213.80
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
3.46
Molar Refractivity
54.79
Admin
Created at
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Updated at
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