Structure Database (LMSD)
Common Name
Isopentacosanoic acid
Systematic Name
23-methyl-tetracosanoic acid
Synonyms
3D model of Isopentacosanoic 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)
MLLNAEIUHLSUPB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H50O2/c1-24(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25(26)27/h24H,3-23H2,1-2H3,(H,26,27)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCC(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
0
Aromatic Rings
0
Rotatable Bonds
22
Van der Waals Molecular Volume
456.00
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
8.92
Molar Refractivity
119.43
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Created at
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Updated at
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