Structure Database (LMSD)
Common Name
Phthioic acid
Systematic Name
3,13,19-trimethyl-tricosanoic acid
Synonyms
3D model of Phthioic 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)
GDZJBTPONREEGO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H52O2/c1-5-6-17-23(2)19-15-12-16-20-24(3)18-13-10-8-7-9-11-14-21-25(4)22-26(27)28/h23-25H,5-22H2,1-4H3,(H,27,28)
SMILES (Click to copy)
C(C(C)CCCCCCCCCC(C)CC(=O)O)CCCCC(C)CCCC
References
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
0
Aromatic Rings
0
Rotatable Bonds
21
Van der Waals Molecular Volume
473.30
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
9.02
Molar Refractivity
123.91
Admin
Created at
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Updated at
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