Structure Database (LMSD)
Common Name
Dodecan-2-one
Systematic Name
Dodecan-2-one
Synonyms
3D model of Dodecan-2-one
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
LSKONYYRONEBKA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3
SMILES (Click to copy)
CC(=O)CCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
222.31
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
4.11
Molar Refractivity
57.91
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Created at
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Updated at
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