Structure Database (LMSD)
Common Name
7-Tridecen-2-one
Systematic Name
7-Tridecen-2-one
Synonyms
3D model of 7-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)
LITVNQITKLTRSK-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C13H24O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h7-8H,3-6,9-12H2,1-2H3/b8-7+
SMILES (Click to copy)
CC(=O)CCCC/C=C/CCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
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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