Structure Database (LMSD)
Common Name
1-Heneicosene
Systematic Name
1-Heneicosene
Synonyms
3D model of 1-Heneicosene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
JTOGFHAZQVDOAO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3H,1,4-21H2,2H3
SMILES (Click to copy)
C=CCCCCCCCCCCCCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
369.22
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
8.21
Molar Refractivity
98.98
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Created at
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Updated at
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