Structure Database (LMSD)
Common Name
3-methyl-tridecanoic acid
Systematic Name
3-methyl-tridecanoic acid
Synonyms
3D model of 3-methyl-tridecanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
JQEQRSJZNQFUBC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-13(2)12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
SMILES (Click to copy)
C(CC(C)CCCCCCCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
265.70
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.63
Molar Refractivity
68.64
Admin
Created at
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Updated at
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