Structure Database (LMSD)
Common Name
Heneicosan-2-one
Systematic Name
Heneicosan-2-one
Synonyms
3D model of Heneicosan-2-one
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)
VUVUIDMZOWHIIJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H42O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h3-20H2,1-2H3
SMILES (Click to copy)
CC(=O)CCCCCCCCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
378.01
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
7.62
Molar Refractivity
99.46
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Created at
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Updated at
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