Structure Database (LMSD)
Common Name
12-Tridecen-2-one
Systematic Name
12-Tridecen-2-one
Synonyms
3D model of 12-Tridecen-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)
UYCZPLKICNDOCL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H24O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3H,1,4-12H2,2H3
SMILES (Click to copy)
CC(=O)CCCCCCCCCC=C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
236.97
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
4.27
Molar Refractivity
62.43
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Created at
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Updated at
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