Structure Database (LMSD)
Common Name
Nonyl octanoate
Systematic Name
nonyl octanoate
Synonyms
3D model of Nonyl octanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
HSGQXSBXGSRINJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-3-5-7-9-10-12-14-16-19-17(18)15-13-11-8-6-4-2/h3-16H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCOC(=O)CCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
317.60
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
5.93
Molar Refractivity
82.82
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Created at
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Updated at
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