Structure Database (LMSD)
Common Name
Dodecan-3-one
Systematic Name
Dodecan-3-one
Synonyms
Main
Classification
String Representations
InChiKey (Click to copy)
PERIHWAPLOBAJM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3-11H2,1-2H3
SMILES (Click to copy)
CCC(=O)CCCCCCCCC
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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