Structure Database (LMSD)
Common Name
Isomontanic acid
Systematic Name
26-methyl-heptacosanoic acid
Synonyms
3D model of Isomontanic 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)
GCUBDUZUXAQLEY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H56O2/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28(29)30/h27H,3-26H2,1-2H3,(H,29,30)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
0
Aromatic Rings
0
Rotatable Bonds
25
Van der Waals Molecular Volume
507.90
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
10.09
Molar Refractivity
133.28
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Created at
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Updated at
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