Structure Database (LMSD)
Common Name
9,10-dimethyl-octacosanoic acid
Systematic Name
9,10-dimethyl-octacosanoic acid
Synonyms
3D model of 9,10-dimethyl-octacosanoic 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)
VUKQWNTVHBAURS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H60O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-28(2)29(3)26-23-20-18-21-24-27-30(31)32/h28-29H,4-27H2,1-3H3,(H,31,32)
SMILES (Click to copy)
C(CCCCCCCC(C)C(C)CCCCCCCCCCCCCCCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
0
Aromatic Rings
0
Rotatable Bonds
26
Van der Waals Molecular Volume
542.50
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
10.73
Molar Refractivity
142.45
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Created at
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Updated at
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