Structure Database (LMSD)
Common Name
2-hexyl-decanoic acid
Systematic Name
2-hexyl-decanoic acid
Synonyms
3D model of 2-hexyl-decanoic 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)
JMOLZNNXZPAGBH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h15H,3-14H2,1-2H3,(H,17,18)
SMILES (Click to copy)
CCCCCCCCC(CCCCCC)C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
300.30
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.41
Molar Refractivity
77.88
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Created at
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Updated at
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