Structure Database (LMSD)

O
Common Name
4,6-Dimethyloctan-3-one
Systematic Name
4,6-Dimethyloctan-3-one
Synonyms
LM ID
LMFA12000127
Formula
C10H20O
Exact Mass
Calculate m/z
156.151415
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
SDBZHZFEQMEFEN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H20O/c1-5-8(3)7-9(4)10(11)6-2/h8-9H,5-7H2,1-4H3
SMILES (Click to copy)
CCC(=O)C(C)CC(C)CC

References

Other Databases

PubChem CID
13834046

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 187.71
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.04
Molar Refractivity 48.53

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Created at
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Updated at
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